SCHEMBL6202823

SCHEMBL6202823

COc1cc(Cc2cc3c(cc2Nc2ccccc2)[N]C(=O)N3)cc(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.42
SRC P12931 2/20 0.42
FGFR4 P22455 1/20 0.39
HIF1A Q16665 1/20 0.38
MAPT P10636 3/20 0.36
ALOX12 P18054 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
GSK3B P49841 1/20 0.35
KDR P35968 1/20 0.35
CALM1 P0DP23 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
SCHEMBL6204133 0.92 FPR1 (0.43) EGFRSRCFGFR4HIF1AMAPK1
SCHEMBL6203291 0.86 EGFR (0.39) EGFRSRCMAPTMAPK1MEN1
SCHEMBL6206042 0.85 CYP3A4 (0.43) MAPTMEN1KMT2APDE4BL3MBTL1
SCHEMBL6204913 0.85 EGFR (0.42) EGFRSRCHIF1AMAPTALOX12
SCHEMBL6203101 0.84 NPC1 (0.38) EGFRSRCMAPTMAPK1MEN1
SCHEMBL6202957 0.84 ALDH1A1 (0.35) EGFRSRCMAPTMAPK1GAA
SCHEMBL6204330 0.81 CNR1 (0.39) EGFRSRCMAPTMAPK1MEN1
SCHEMBL6205378 0.80 KMT2A (0.40) EGFRSRCMAPTALOX12MAPK1
SCHEMBL6202905 0.80 LTA4H (0.41) MAPTMEN1KMT2AGSK3BL3MBTL1
SCHEMBL6205452 0.80 EGFR (0.36) EGFRSRCMAPTMAPK1MEN1

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-1539708-A1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-06-15 EP disclosed
WO-2004024699-A1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-03-25 WO disclosed