SCHEMBL5347663

SCHEMBL5347663

Clc1ccc(-c2nc3ncc(Br)cn3c2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
RAB9A P51151 3/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GLA P06280 1/20 0.44
AKT1 P31749 7/20 0.42
AKT2 P31751 7/20 0.42
PTGS2 P35354 1/20 0.39
PKM P14618 1/20 0.37
SLC2A1 P11166 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
AHR P35869 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
SCHEMBL5321323 0.87 AKT1 (0.50) KDM4ERAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL5324372 0.85 AKT1 (0.55) KDM4ERAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL5346034 0.79 KDM4E (0.42) KDM4ERAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL5353051 0.79 KDM4E (0.42) KDM4ERAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL5341559 0.79 DPP4 (0.45) RAB9ASMN1; SMN2ALDH1A1AKT1AKT2
SCHEMBL1428401 0.78 AKT2 (0.49) SMN1; SMN2AKT1AKT2L3MBTL1MEN1
SCHEMBL5320129 0.77 AKT1 (0.46) KDM4ERAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL5343647 0.77 AKT1 (0.48) KDM4ERAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL5325683 0.77 AKT1 (0.51) KDM4ERAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL5337798 0.76 AKT1 (0.45) KDM4ERAB9AGAASMN1; SMN2ALDH1A1

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
WO-2007096764-A2 BICYCLIC HETEROARYL DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS S.A. (US) 2007-08-30 WO disclosed
WO-2007096764-A2 BICYCLIC HETEROARYL DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS S.A. (US) 2007-08-30 WO disclosed