SCHEMBL7987028

SCHEMBL7987028

COc1cc2c3ccc(OC)c(OC)c3c(=O)n(Cc3ccc(S(=O)(=O)c4ccccc4)cc3)c2cc1OC

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.57
PRKACA P17612 1/20 0.53
PRKACG P22612 1/20 0.53
PRKACB P22694 1/20 0.53
TSHR P16473 1/20 0.43
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
CA2 P00918 1/20 0.39

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
SCHEMBL7980591 0.90 TSHR (0.52) SRCTSHRALDH1A1HSD17B10HTT
SCHEMBL7983968 0.87 SRC (0.56) SRCPRKACAPRKACGPRKACBTSHR
SCHEMBL7987031 0.86 NOX4 (0.54) SRCPRKACAPRKACGPRKACBTSHR
SCHEMBL7970466 0.86 SRC (0.69) SRCPRKACAPRKACGPRKACBTSHR
SCHEMBL7981786 0.82 SRC (0.56) SRCPRKACAPRKACGPRKACBALDH1A1
SCHEMBL7980495 0.81 SRC (0.49) SRCPRKACAPRKACGPRKACBTSHR
SCHEMBL7981431 0.79 SRC (0.48) SRCTSHRALDH1A1HSD17B10HTT
SCHEMBL7970086 0.74 SRC (0.63) SRCPRKACAPRKACGPRKACBTSHR
SCHEMBL7970968 0.73 TSHR (0.47) SRCTSHRALDH1A1HSD17B10HTT
SCHEMBL7981604 0.73 SRC (1.00) SRCPRKACAPRKACGPRKACB

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-6194439-B1 ANTICANCER AGENT PFIZER INC. 2001-02-27 US disclosed
EP-0586608-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1994-03-16 EP disclosed
WO-1992021660-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER, INC. (US) 1992-12-10 WO disclosed