SCHEMBL11076891

SCHEMBL11076891

COc1cc(S(C)(=O)=O)ccc1-c1nc2cc(NC(N)=O)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CDK4 P11802 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
CCND3 P30281 1/20 0.43
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPSE Q9Y251 5/20 0.40
CHEK2 O96017 1/20 0.40
SCD O00767 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
SCHEMBL11066087 0.90 KMT2A (0.43) KMT2AMEN1MAPTALDH1A1HPSE
SCHEMBL11071981 0.89 PDE5A (0.41) KMT2AMEN1NPC1RAB9ARXFP1
SCHEMBL11065268 0.88 CYP2C9 (0.44) KMT2AMEN1MAPTHPSECHEK2
SCHEMBL10742473 0.86 MAPT (0.42) KMT2AMAPTHPSECHEK2
SCHEMBL10763240 0.83 CDK4 (0.45) KMT2AMEN1NPC1RAB9ACDK4
SCHEMBL11074215 0.83 HPSE (0.39) KMT2AMAPTHPSE
SCHEMBL10765896 0.82 ATR (0.48) KMT2AMEN1NPC1RAB9ACDK4
SCHEMBL10765238 0.82 CDK4 (0.45) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL11065296 0.81 PDE5A (0.38) KMT2AMAPTHPSE
SCHEMBL10762025 0.80 CDK4 (0.59) CDK4CCNA2CCND1CDK2CCND3

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-0148431-A1 Benzimidazoles, their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-07-17 EP disclosed