SCHEMBL3250019

SCHEMBL3250019

[CH2]c1nc(-c2ccc3c(c2)c2cc(-c4ccc(Cl)cc4Cl)c(=O)n(C)c2n3C)co1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CNR1 P21554 12/20 0.36
▸ CNR2 P34972 11/20 0.36
▸ GABRA1 P14867 2/20 0.35
▸ ADRA2C P18825 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ MAPK3 P27361 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ SLC18A2 Q05940 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ MAPT P10636 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
SCHEMBL1336863 0.90 KDM4E (0.39) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL1339390 0.89 CNR1 (0.40) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL1339478 0.86 CNR1 (0.39) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL1339189 0.83 GABRA1 (0.41) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL3256818 0.83 EIF4E (0.39) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL1338643 0.83 KDM4E (0.38) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL1339468 0.82 KDM4E (0.41) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL1337210 0.81 KDM4E (0.37) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL1339526 0.80 CNR1 (0.36) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL1336976 0.80 TRIM24 (0.41) KDM4EALDH1A1GAAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940840-B1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-07-21 — — EP disclosed
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