SCHEMBL6971488

SCHEMBL6971488

Cc1c(N(Cc2cccc(C#N)c2)C(=O)NC(C(=O)O)C(C)C)cnn1CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.39
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
PTGES O14684 9/20 0.37
NR3C1 P04150 1/20 0.37
MEP1A Q16819 1/20 0.37
MEP1B Q16820 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
GPR132 Q9UNW8 2/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34

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
SCHEMBL6971574 0.90 IL1RN (0.38) ADAMTS4MMP13ALDH1A1MAPTPTGES
SCHEMBL6964408 0.85 ALDH1A1 (0.43) ALDH1A1MAPTNR3C1MEP1AMEP1B
SCHEMBL6969060 0.84 ALDH1A1 (0.40) ALDH1A1MAPTPTGESNR3C1MEP1A
SCHEMBL6972441 0.84 ALDH1A1 (0.43) ADAMTS4MMP13ALDH1A1MAPTNR3C1
SCHEMBL6968547 0.83 ALDH1A1 (0.42) ALDH1A1MAPTNR3C1MEP1AMEP1B
SCHEMBL6973013 0.81 ALDH1A1 (0.40) ALDH1A1MAPTNR3C1MEP1AMEP1B
SCHEMBL6973145 0.81 ALDH1A1 (0.40) ALDH1A1MAPTNR3C1MEP1AMEP1B
SCHEMBL6971108 0.80 ALDH1A1 (0.36) ALDH1A1MAPTPTGESNR3C1MEP1A
SCHEMBL6971104 0.80 ALDH1A1 (0.36) ALDH1A1MAPTPTGESNR3C1MEP1A
SCHEMBL6960549 0.78 MAPT (0.38) ALDH1A1MAPTNR3C1MEP1AMEP1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed