SCHEMBL7066732

SCHEMBL7066732

Cc1sc(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc1S(=O)(=O)NCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.42
ALB P02768 2/20 0.41
MCL1 Q07820 2/20 0.35
PDK1 Q15118 2/20 0.35
PDK2 Q15119 2/20 0.35
PDK3 Q15120 2/20 0.35
PDK4 Q16654 2/20 0.35
TBXA2R P21731 4/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
DDR1 Q08345 1/20 0.34
F10 P00742 1/20 0.34
PRSS12 P56730 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL6833250 0.84 ALB (0.40) MEN1KMT2AALBTBXA2RALDH1A1
SCHEMBL6818482 0.80 HTT (0.39) MEN1KMT2AALBTBXA2RKDM4E
SCHEMBL6821593 0.79 LMNA (0.39) MEN1KMT2AALBALDH1A1
SCHEMBL7064764 0.79 ALB (0.46) MEN1KMT2AALBALDH1A1F10
SCHEMBL6834211 0.79 LMNA (0.40) MEN1KMT2AATMALBMCL1
SCHEMBL6932502 0.79 ALB (0.54) MEN1KMT2ATSHRALBKDM4E
SCHEMBL6835831 0.78 ALB (0.38) MEN1KMT2AALBTBXA2RALDH1A1
SCHEMBL6833913 0.78 ALB (0.38) MEN1KMT2AALBTBXA2RALDH1A1
SCHEMBL6930797 0.78 ALB (0.53) MEN1KMT2ATSHRALBALDH1A1
SCHEMBL6834212 0.78 ALB (0.47) MEN1KMT2AALBKDM4EALDH1A1

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
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed