SCHEMBL4760558

SCHEMBL4760558

Cn1c(=O)c(-c2ccc(Cl)cc2)cc2c3c(C(=O)CBr)cccc3n(C)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 9/20 0.35
▸ CNR2 P34972 9/20 0.35
▸ MAPT P10636 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ MAPK3 P27361 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ SLC18A2 Q05940 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ CXCR3 P49682 1/20 0.33
▸ RIPK2 O43353 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL1338158 0.79 GSK3B (0.43) CNR1CNR2MAPTGABRA1CXCR3
SCHEMBL4760636 0.78 RXFP1 (0.37) MAPTSLC6A3RXFP1SMN1; SMN2KMT2A
SCHEMBL4760594 0.76 AHR (0.38) MAPTSLC6A3MAPK14THRBSLC6A4
SCHEMBL1337392 0.75 HSD17B10 (0.46) MAPTADORA1THRBRXFP1SMN1; SMN2
SCHEMBL4761085 0.73 GABRA1 (0.38) CNR1CNR2SLC6A3EGFRALOX5
SCHEMBL1337044 0.71 CXCR3 (0.39) CNR1CNR2MAPTGABRA1SIGMAR1
SCHEMBL4760559 0.70 KMT2A (0.44) MAPTADORA1EGFRMAPK14CXCR3
SCHEMBL1339005 0.69 ALDH1A1 (0.42) CNR1CNR2MAPTSLC6A3EGFR
SCHEMBL1338964 0.69 GSK3B (0.41) CXCR3PTPN1GSK3BKMT2AMEN1
SCHEMBL1336822 0.68 PTPN1 (0.43) MAPTTHRBRXFP1PTPN1GSK3B

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
EP-1940840-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-07-09 — — EP disclosed
WO-2007045758-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-04-26 — — WO disclosed
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