SCHEMBL6344116

SCHEMBL6344116

CCOc1ccc(-c2ccc3c(c2)C=C(C(=O)OC)CCN3S(C)(=O)=O)cc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
PTGS2 P35354 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 3/20 0.35
PRKCZ Q05513 1/20 0.34
THRB P10828 1/20 0.34
SLC6A9 P48067 1/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
MMP13 P45452 1/20 0.34
RAB9A P51151 1/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL6344077 0.91 CREBBP (0.41) CREBBPMEN1KMT2ACCNT1CDK9
SCHEMBL6339035 0.87 MEN1 (0.51) CREBBPMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6344466 0.84 PRKCZ (0.35) CCNT1CDK9PTGS2MAPTPRKCZ
SCHEMBL6342677 0.83 MEN1 (0.43) MEN1KMT2ASMN1; SMN2HTTPOLB
SCHEMBL6341045 0.81 MEN1 (0.43) MEN1KMT2ASMN1; SMN2HTTPOLB
SCHEMBL6344215 0.81 HDAC1 (0.36) MAPTPRKCZTHRB
SCHEMBL6340409 0.80 MEN1 (0.42) MEN1KMT2ASMN1; SMN2HTTPOLB
SCHEMBL5654441 0.79 CCR5 (0.45) MEN1KMT2ASMN1; SMN2HTTPOLB
SCHEMBL6342839 0.77 MEN1 (0.39) MEN1KMT2ASMN1; SMN2HTTPOLB
SCHEMBL6341807 0.77 MEN1 (0.50) CREBBPMEN1KMT2ASMN1; SMN2HTT

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
US-6936602-B1 Benzazepine derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-30 US disclosed
EP-1186604-A1 BENZAZEPINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-13 EP disclosed