SCHEMBL7410267

SCHEMBL7410267

COc1ccc(C(=O)Nc2ncccc2NC(=O)c2ccc(C(N)=S)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.57
RAB9A P51151 8/20 0.57
NPC1 O15118 6/20 0.57
KMT2A Q03164 6/20 0.55
HDAC1 Q13547 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
F2 P00734 1/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 4/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL7411059 1.00 F10 (0.57) F10RAB9ANPC1KMT2AHDAC1
SCHEMBL8415828 0.90 RAB9A (0.51) RAB9ANPC1KMT2AHDAC1HDAC2
SCHEMBL7411534 0.87 POLB (0.65) KMT2AALDH1A1MEN1POLBPKM
SCHEMBL7408481 0.87 POLB (0.65) KMT2AALDH1A1MEN1POLBPKM
SCHEMBL7407418 0.85 F10 (0.79) F10RAB9ANPC1KMT2AHDAC1
SCHEMBL7411939 0.81 MEN1 (0.60) F10KMT2AHDAC1HDAC3HDAC4
SCHEMBL7407271 0.81 F10 (0.51) F10RAB9ANPC1KMT2AHDAC1
SCHEMBL27520433 0.80 HDAC1 (0.62) F10RAB9ANPC1KMT2AHDAC1
SCHEMBL7408194 0.79 F10 (0.52) F10RAB9ANPC1KMT2AHDAC1
SCHEMBL7410354 0.79 KMT2A (0.55) F10RAB9ANPC1KMT2AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999042439-A1 NOVEL THIOBENZAMIDES ROCHE DIAGNOSTICS GMBH (DE) 1999-08-26 WO claimed
WO-1999042439-A1 NOVEL THIOBENZAMIDES ROCHE DIAGNOSTICS GMBH (DE) 1999-08-26 WO disclosed
EP-0937711-A1 Thiobenzamides, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1999-08-25 EP disclosed