SCHEMBL9507593

SCHEMBL9507593

Nc1cc2c3c(cccc3c1N)CC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.62
HPGD P15428 7/20 0.62
KDM4E B2RXH2 7/20 0.62
LMNA P02545 5/20 0.62
MEN1 O00255 2/20 0.62
GAA P10253 2/20 0.62
KMT2A Q03164 2/20 0.62
MAPT P10636 2/20 0.62
HSD17B10 Q99714 4/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX15 P16050 1/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ATM Q13315 1/20 0.40
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
SCN2A Q99250 1/20 0.36
KEAP1 Q14145 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11820344 0.81 ALDH1A1 (0.58) ALDH1A1HPGDKDM4ELMNAMEN1
SCHEMBL4978820 0.77 ALDH1A1 (1.00) ALDH1A1HPGDKDM4ELMNAMEN1
SCHEMBL27724206 0.77 MEN1 (0.44) ALDH1A1HPGDKDM4ELMNAMEN1
Hydrochloric Acid SCHEMBL4707562 0.75 ALDH1A1 (0.96) ALDH1A1HPGDKDM4ELMNAMEN1
SCHEMBL21554126 0.74 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ELMNAMEN1
SCHEMBL29463743 0.74 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ELMNAMEN1
SCHEMBL6155960 0.73 ALDH1A1 (0.49) ALDH1A1HPGDKDM4ELMNAMEN1
SCHEMBL24465892 0.71 ALDH1A1 (0.60) ALDH1A1HPGDKDM4ELMNAMEN1
SCHEMBL29765599 0.69 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ELMNAMEN1
SCHEMBL12753 0.69 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ELMNAMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018206181-A1 METHOD FOR PRODUCING FUNCTIONALIZED POLYESTERS HENKEL AG & CO. KGAA (DE) 2018-11-15 WO disclosed
EP-3401348-A1 METHOD FOR PRODUCING FUNCTIONALIZED POLYESTERS Henkel AG & Co. KGaA (DE) 2018-11-14 EP disclosed
EP-0392876-B1 PREPARING MICROCAPSULES THE MEAD CORPORATION (US) 1993-08-04 EP disclosed
EP-0174724-B1 MICROENCAPSULATION OF POLYISOCYANATES BY INTERCHANGE OF EMULSIONS MOORE BUSINESS FORMS, INC. (US) 1991-06-19 EP disclosed
EP-0392876-A1 Preparing microcapsules THE MEAD CORPORATION (US) 1990-10-17 EP disclosed
EP-0126935-B1 HYDROCARBON OXIDATE COMPOSITION ASHLAND OIL, INC. (US) 1987-10-07 EP disclosed
EP-0068199-B1 PETROLEUM OR HYDROCARBON WAX OXIDATE COMPOSITION ASHLAND OIL, INC. (US) 1987-04-22 EP disclosed
US-4599271-A FORMING POLYMERIC WALLS AROUND ORGANIC DROPLETS MOORE BUSINESS FORMS, INC. (US) 1986-07-08 US disclosed
US-4592957-A Emulsifying a mixture of hydrophobic core and water polyamine; adding water soluble polyisocyanate bisulfite adduct BAYER AKTIENGESELLSCHAFT (DE) 1986-06-03 US disclosed
EP-0174724-A2 Microencapsulation of polyisocyanates by interchange of emulsions MOORE BUSINESS FORMS, INC. (US) 1986-03-19 EP disclosed
US-4284742-A Puncture-sealing tire THE B. F. GOODRICH COMPANY (US) 1981-08-18 US disclosed
US-4263075-A Method of making a puncture-sealing tire with sealant consisting of a vinylidene-terminated liquid polymer and an amine THE B. F. GOODRICH COMPANY (US) 1981-04-21 US disclosed
US-4242415-A AN AMINE-MODIFIED CARBOXYLATED ADDITION POLYMER, A VINYL MONOMER, AND A CARBAML-CONTAINING UNSATURATED ESTER OR POLYESTER; CURING ICI AMERICAS INC. (US) 1980-12-30 US disclosed
US-4214619-A Puncture-sealing tire THE B. F. GOODRICH COMPANY (US) 1980-07-29 US disclosed
EP-0006308-A1 In-mould coating compositions containing functional group terminated liquid polymers and method of covering surface defects of a moulded thermoplastic article therewith ICI AMERICAS INC. (US) 1980-01-09 EP disclosed
US-4129670-A Reaction products of non-cycloaliphatic epoxy resins and amine-terminated liquid polymers and process for preparation thereof THE B. F. GOODRICH COMPANY (US) 1978-12-12 US disclosed
US-4088708-A CYCLOALIPHATIC EPOXY RESIN, AMINE-TERMINATED ADDITION POLYMER, ANHYDRIDE THE B. F. GOODRICH COMPANY (US) 1978-05-09 US disclosed
US-4058657-A Co-cured compositions of amine-terminated liquid polymers and vinylidene-terminated polymers and process for preparation thereof THE B. F. GOODRICH COMPANY (US) 1977-11-15 US disclosed
US-4055541-A Reaction products of non-cycloaliphatic epoxy resins and amine-terminated liquid polymers and process for preparation thereof THE B. F. GOODRICH COMPANY (US) 1977-10-25 US disclosed
US-4018847-A EPOXY AND PHENOLIC RESINS THE B. F. GOODRICH COMPANY (US) 1977-04-19 US disclosed