SCHEMBL6744773

SCHEMBL6744773

COc1cc(C=O)c(-c2cccs2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.58
RPS6KB2 Q9UBS0 2/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
PRKDC P78527 2/20 0.45
HSD17B10 Q99714 4/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TNFRSF1A P19438 5/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
MAPK1 P28482 3/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL5560733 0.83 TNFRSF1A (0.57) ERN1RPS6KB2KDM4EALDH1A1TSHR
SCHEMBL31231819 0.83 ERN1 (0.54) ERN1KDM4EALDH1A1TSHRTDP1
SCHEMBL6040741 0.81 ERN1 (0.61) ERN1RPS6KB2KDM4EALDH1A1TSHR
SCHEMBL6040729 0.80 MAOB (0.51) ERN1KDM4EALDH1A1TDP1CYP3A4
SCHEMBL3680495 0.80 ERN1 (0.52) ERN1KDM4EALDH1A1TDP1CYP3A4
SCHEMBL5565309 0.80 ERN1 (0.60) ERN1RPS6KB2KDM4EALDH1A1HSD17B10
SCHEMBL2780877 0.79 RPS6KB2 (0.56) ERN1RPS6KB2KDM4EALDH1A1TSHR
SCHEMBL5937486 0.77 ERN1 (0.59) ERN1RPS6KB2ALDH1A1TSHRTDP1
SCHEMBL5960661 0.77 ERN1 (0.68) ERN1TNFRSF1A
SCHEMBL6040725 0.76 ERN1 (0.50) ERN1RPS6KB2KDM4EALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689806-B1 MODULATING PROTEIN KINASES AND RELATED SIGNAL TRANSDUCTION PATHWAYS SUGEN, INC. 2004-02-10 US disclosed
EP-1165513-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS Sugen, Inc. (US) 2002-01-02 EP disclosed
WO-2000056709-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS SUGEN, INC. (US) 2000-09-28 WO disclosed