SCHEMBL13076403

SCHEMBL13076403

CCCn1c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)nc2ccc(C(=O)OC(C)(C)C)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.51
▸ MEN1 O00255 6/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ TSHR P16473 5/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ HSD17B10 Q99714 4/20 0.51
▸ NPSR1 Q6W5P4 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ CDK5 Q00535 1/20 0.51
▸ CDK5R1 Q15078 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ MAP3K7 O43318 1/20 0.50
▸ EGFR P00533 2/20 0.47
▸ FGFR1 P11362 2/20 0.47
▸ KDR P35968 2/20 0.47
▸ HPGD P15428 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ POLB P06746 1/20 0.46

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
SCHEMBL13077193 0.94 KDM4E (0.51) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL3799856 0.89 MEN1 (0.56) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL13076229 0.88 MAP3K7 (0.66) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL3801292 0.86 KDM4E (0.69) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL13076210 0.85 KDM4E (0.51) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL3796183 0.85 KDM4E (0.55) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL3803908 0.83 KDM4E (0.59) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL3799346 0.83 MEN1 (0.56) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL13076790 0.83 ITK (0.49) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL3798557 0.82 KDM4E (0.52) KDM4EMEN1KMT2ATSHRALDH1A1

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