SCHEMBL3801292

SCHEMBL3801292

CCCn1c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)nc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.69
▸ KMT2A Q03164 6/20 0.69
▸ MEN1 O00255 5/20 0.69
▸ TSHR P16473 5/20 0.69
▸ ALDH1A1 P00352 6/20 0.67
▸ NPSR1 Q6W5P4 5/20 0.67
▸ HSD17B10 Q99714 4/20 0.67
▸ LMNA P02545 4/20 0.67
▸ HTT P42858 4/20 0.67
▸ TDP1 Q9NUW8 3/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ MAP3K7 O43318 1/20 0.67
▸ CDK5 Q00535 1/20 0.67
▸ CDK5R1 Q15078 1/20 0.67
▸ CLK2 P49760 1/20 0.61
▸ CDK9 P50750 1/20 0.61
▸ MST1R Q04912 1/20 0.61
▸ CLK4 Q9HAZ1 1/20 0.61
▸ USP2 O75604 2/20 0.60
▸ TP53 P04637 1/20 0.60

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
SCHEMBL3803908 0.94 KDM4E (0.59) KDM4EKMT2AMEN1TSHRALDH1A1
SCHEMBL3799820 0.92 IRAK4 (0.67) KDM4EKMT2AMEN1TSHRALDH1A1
SCHEMBL13076229 0.91 MAP3K7 (0.66) KDM4EKMT2AMEN1TSHRALDH1A1
SCHEMBL3799856 0.91 MEN1 (0.56) KDM4EKMT2AMEN1TSHRALDH1A1
SCHEMBL3799346 0.91 MEN1 (0.56) KDM4EKMT2AMEN1TSHRALDH1A1
SCHEMBL3800980 0.90 KDM4E (0.56) KDM4EKMT2AMEN1TSHRALDH1A1
SCHEMBL3796176 0.90 KDM4E (0.56) KDM4EKMT2AMEN1TSHRALDH1A1
SCHEMBL3792655 0.90 MAP3K7 (0.57) KDM4EKMT2AMEN1TSHRALDH1A1
SCHEMBL3793594 0.90 CLK2 (0.73) KDM4EKMT2AMEN1TSHRALDH1A1
SCHEMBL3796183 0.89 KDM4E (0.55) KDM4EKMT2AMEN1TSHRALDH1A1

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-2010126922-A1 BENZIMIDAZOLECARBOXAMIDES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2010-11-04 — — WO disclosed
WO-2010126922-A1 BENZIMIDAZOLECARBOXAMIDES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2010-11-04 — — WO disclosed
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