SCHEMBL4551293

SCHEMBL4551293

C#CN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
TSHR P16473 4/20 0.52
LMNA P02545 3/20 0.52
PYCR1 P32322 2/20 0.52
USP2 O75604 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
BLM P54132 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
AOC3 Q16853 1/20 0.44
GAA P10253 1/20 0.44
NPBWR1 P48145 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MCHR1 Q99705 1/20 0.44
CA2 P00918 1/20 0.40
CALM1 P0DP23 1/20 0.39
MGLL Q99685 2/20 0.39
CARM1 Q86X55 1/20 0.39

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
SCHEMBL4550659 0.87 ALDH1A1 (0.52) ALDH1A1TSHRLMNAPYCR1USP2
SCHEMBL21153741 0.76 TAAR1 (0.44) ALDH1A1LMNAPYCR1AOC3GAA
SCHEMBL3267766 0.76 MAOB (0.59) ALDH1A1TSHRLMNAPYCR1USP2
SCHEMBL1600461 0.75 ALDH1A1 (1.00) ALDH1A1TSHRLMNAPYCR1USP2
SCHEMBL11107622 0.75 ALDH1A1 (0.60) ALDH1A1TSHRLMNAPYCR1USP2
SCHEMBL26801 0.75 ALDH1A1 (0.60) ALDH1A1TSHRLMNAPYCR1USP2
SCHEMBL1797079 0.75 ALDH1A1 (0.60) ALDH1A1TSHRLMNAPYCR1USP2
SCHEMBL10963727 0.75 TSHR (0.47) ALDH1A1TSHRLMNAPYCR1USP2
SCHEMBL16606309 0.74 CHRNB2 (0.58) ALDH1A1
SCHEMBL6096180 0.72 TSHR (0.48) ALDH1A1TSHRLMNAPYCR1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3144355-B1 PIGMENTED PAINT FORMULATION WITH A PHOSPHORUS ACID FUNCTIONALIZED LATEX BINDER AND AN ASSOCIATIVE THICKENER ROHM & HAAS (US) 2020-04-29 EP claimed
EP-3144354-B1 PIGMENTED PAINT FORMULATION WITH A PHOSPHORUS ACID FUNCTIONALIZED LATEX BINDER AND AN ASSOCIATIVE THICKENER ROHM & HAAS (US) 2018-10-31 EP claimed
EP-1205815-B1 Liquid inks comprising surface-treated colorant particles and manufacturing method thereof SAMSUNG ELECTRONICS CO LTD (KR) 2009-12-23 EP claimed
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP claimed
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP claimed
EP-1229057-B1 Organosol and liquid inks comprising the same SAMSUNG ELECTRONICS CO LTD (KR) 2007-05-23 EP claimed