SCHEMBL6350295

SCHEMBL6350295

CCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCN3S(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 3/20 0.38
RARB P10826 5/20 0.37
RARA P10276 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
CCR5 P51681 4/20 0.37
CCR2 P41597 1/20 0.37
CCR3 P51677 1/20 0.37
CCR4 P51679 1/20 0.37
MPL P40238 1/20 0.36
PDE10A Q9Y233 1/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
MMP13 P45452 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL6341807 0.92 MEN1 (0.50) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL5655925 0.92 RARB (0.49) MEN1KMT2AMAPTRARBRARA
SCHEMBL6344918 0.91 MEN1 (0.42) MEN1KMT2AMAPTRARBRARA
SCHEMBL6339452 0.91 MEN1 (0.42) MEN1KMT2AMAPTRARBRARA
SCHEMBL6341045 0.90 MEN1 (0.43) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6351869 0.89 MEN1 (0.38) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6341743 0.89 MEN1 (0.40) MEN1KMT2AMAPTRARBSMN1; SMN2
SCHEMBL6349978 0.83 MPL (0.39) MAPTRARBRARACCR5MPL
SCHEMBL5654441 0.82 CCR5 (0.45) MEN1KMT2AMAPTRARBRARA
SCHEMBL6339035 0.82 MEN1 (0.51) MEN1KMT2AMAPTSMN1; 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