SCHEMBL7076994

SCHEMBL7076994

C=CCc1c(C(=O)O)ccc(N)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
CASP6 P55212 2/20 0.40
CDC25B P30305 1/20 0.40
RCE1 Q9Y256 1/20 0.40
KDM4E B2RXH2 6/20 0.39
KMT2A Q03164 3/20 0.39
GFER P55789 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
MEN1 O00255 2/20 0.38
THRB P10828 2/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
MCL1 Q07820 1/20 0.38
HSD17B10 Q99714 3/20 0.38

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
SCHEMBL27615088 0.88 ALDH1A1 (0.41) ALDH1A1CASP6CDC25BRCE1KDM4E
SCHEMBL16795486 0.83 KDM4E (0.42) ALDH1A1CASP6KDM4EKMT2AMAPT
SCHEMBL996835 0.83 CYP1A2 (0.44) ALDH1A1KDM4EKMT2AHSD17B10TSHR
SCHEMBL27677857 0.83 MAPT (0.47) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL7412901 0.81 MMP2 (0.44) ALDH1A1CASP6CDC25BRCE1KDM4E
SCHEMBL461024 0.79 MMP2 (0.50) ALDH1A1CASP6CDC25BRCE1KDM4E
SCHEMBL11501049 0.79 ALDH1A1 (0.49) ALDH1A1CDC25BKDM4EKMT2AMAPT
SCHEMBL788899 0.77 SELL (0.45) ALDH1A1KDM4EKMT2ARXFP1MAPT
SCHEMBL2927788 0.77 GABRP (0.47) ALDH1A1CASP6CDC25BRCE1KDM4E
SCHEMBL10706688 0.77 TSHR (0.40) ALDH1A1CASP6CDC25BRCE1KDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0572560-B1 USE OF PHARMACEUTICAL COMPOUNDS IN THE TREATMENT OF SYMPTOMS OF DISORDERS RELATED TO NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY SHAPIRO HOWARD K (US) 2003-01-29 EP claimed
WO-2021202876-A1 POLYURETHANE PREPOLYMER COMPOSITION COMPRISING AN ALKYL BENZOATE LANXESS CORPORATION (US) 2021-10-07 WO disclosed
EP-0677542-B1 Diamine chain extenders in polyurethane-ureas and process of manufacture AIR PROD & CHEM (US) 1999-06-23 EP disclosed
US-5719307-A INCLUDING 2-METHYL-1,3-PROPANEDIOL-BIS-PARA-AMINOBENZOATE AIR PRODUCTS AND CHEMICALS, INC. (US) 1998-02-17 US disclosed
EP-0677542-A2 Diamine chain extenders in polyurethane-ureas and process of manufacture AIR PRODUCTS AND CHEMICALS, INC. (US) 1995-10-18 EP disclosed
US-5371288-A Branched alkyl-containing aminobenzamides as chain extenders in polyurethane-urea elastomers AIR PRODUCTS AND CHEMICALS, INC. (US) 1994-12-06 US disclosed
US-4365051-A CURING AGENTS, CHAIN EXTENSION THE GOODYEAR TIRE & RUBBER COMPANY (US) 1982-12-21 US disclosed
US-4254272-A PHENYL OR CYCLOHEXYL ESTER OF 3,5-DIAMINO-4-TERT-BUTYL-BENZOIC ACID THE GOODYEAR TIRE & RUBBER COMPANY (US) 1981-03-03 US disclosed
US-4222955-A CURING AGENT FOR POLYURETHANES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1980-09-16 US disclosed
US-4187186-A WEAR, OXIDATION AND CORROSION RESISTANT MOBIL OIL CORPORATION (US) 1980-02-05 US disclosed