SCHEMBL7981541

SCHEMBL7981541

Cc1c(C(=O)CCN(C)C)sc2ccc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
PFKFB3 Q16875 2/20 0.43
PFKFB4 Q16877 2/20 0.43
CXCR2 P25025 1/20 0.43
PIM1 P11309 3/20 0.41
PIM2 Q9P1W9 3/20 0.41
HTR6 P50406 4/20 0.40
ROCK1 Q13464 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CMA1 P23946 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
F10 P00742 1/20 0.38
BCKDK O14874 1/20 0.38
MCL1 Q07820 1/20 0.38
RXFP1 Q9HBX9 1/20 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
SCHEMBL6958000 0.85 MAPT (0.48) MAPTPFKFB3PFKFB4CXCR2ROCK1
SCHEMBL5845473 0.82 MAPT (0.50) MAPTPFKFB3PFKFB4CXCR2ROCK1
SCHEMBL3318210 0.81 MAPT (0.49) MAPTPFKFB3PFKFB4CXCR2ROCK1
Hydrochloric Acid SCHEMBL7984189 0.80 HSD11B1 (0.54) MAPTALDH1A1NPSR1KDM4EMCL1
SCHEMBL121489 0.77 MAPT (0.50) MAPTPFKFB3PFKFB4CXCR2ROCK1
SCHEMBL122587 0.77 GPR35 (0.58) MAPTPFKFB3PFKFB4ROCK1CMA1
SCHEMBL121696 0.77 MAPT (0.50) MAPTPFKFB3PFKFB4ROCK1ALDH1A1
SCHEMBL3133584 0.75 OGG1 (0.52) MAPTPFKFB3PFKFB4CXCR2ROCK1
SCHEMBL6950423 0.74 TBXAS1 (0.56) MAPTCXCR2ROCK1
SCHEMBL6659125 0.74 MAPT (0.49) MAPTPFKFB3PFKFB4ALDH1A1CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001007431-A2 BENZOTHIOPHENE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-02-01 WO claimed
WO-2001007431-A2 BENZOTHIOPHENE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-02-01 WO disclosed