SCHEMBL8210271

SCHEMBL8210271

COc1ccc(CNC(=O)c2cc(C)sc2N)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 1/20 0.57
APEX1 P27695 1/20 0.56
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAOB P27338 1/20 0.50
NAMPT P43490 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NR1H4 Q96RI1 1/20 0.49

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
SCHEMBL8207980 0.90 GAA (0.55) KMT2AAPEX1LMNA
SCHEMBL8206949 0.87 LMNA (0.57) KMT2AALDH1A1APEX1LMNASMN1; SMN2
SCHEMBL8210433 0.86 KMT2A (0.55) KMT2AALDH1A1APEX1LMNASMN1; SMN2
SCHEMBL7893101 0.82 ALDH1A1 (0.56) KMT2AALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL7430348 0.81 ALDH1A1 (0.53) KMT2AALDH1A1APEX1LMNASMN1; SMN2
SCHEMBL8207487 0.80 KMT2A (0.51) KMT2AALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL8210407 0.79 KMT2A (0.53) KMT2AALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL8212496 0.79 GAA (0.56) KMT2AAPEX1LMNA
SCHEMBL7892988 0.78 NR1H4 (0.58) KMT2AALDH1A1APEX1SMN1; SMN2RECQL
SCHEMBL8200517 0.78 SMN1; SMN2 (0.53) KMT2AALDH1A1APEX1LMNASMN1; SMN2

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
US-6143777-A ENZYME INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-07 US disclosed