SCHEMBL7970469

SCHEMBL7970469

COc1cc2c(=O)n(Cc3ccccc3S(=O)(=O)c3ccccc3)c3cc(OC)c(OC)cc3c2cc1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.71
SRC P12931 1/20 0.49
PRKACA P17612 1/20 0.49
PRKACG P22612 1/20 0.49
PRKACB P22694 1/20 0.49
HTR6 P50406 1/20 0.46
TP53 P04637 4/20 0.46
GAA P10253 1/20 0.46
RXFP1 Q9HBX9 3/20 0.45
TSHR P16473 1/20 0.44
MAPT P10636 4/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP2 P08253 1/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
MMP16 P51512 1/20 0.40

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
SCHEMBL7987031 0.87 NOX4 (0.54) NOX4SRCPRKACAPRKACGPRKACB
SCHEMBL7970466 0.84 SRC (0.69) NOX4SRCPRKACAPRKACGPRKACB
SCHEMBL7983976 0.83 NOX4 (0.49) NOX4SRCHTR6TP53GAA
SCHEMBL7981060 0.83 NOX4 (1.00) NOX4SRCPRKACAPRKACGPRKACB
SCHEMBL7970086 0.78 SRC (0.63) SRCPRKACAPRKACGPRKACBTP53
SCHEMBL7980611 0.72 SRC (0.60) SRCTSHRMAPTALDH1A1SMN1; SMN2
SCHEMBL7987028 0.72 SRC (0.57) SRCPRKACAPRKACGPRKACBTP53
SCHEMBL7981611 0.71 NOX4 (0.77) NOX4SRCPRKACAPRKACGPRKACB
SCHEMBL7984333 0.69 MAPT (0.53) SRCTP53TSHRMAPTALDH1A1
SCHEMBL9254895 0.68 HTR6 (0.56) NOX4HTR6GAAMMP2MMP8

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