SCHEMBL7981735

SCHEMBL7981735

Oc1cc2[nH]c3c(O)c(O)cc(Br)c3c2cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 1.00
PRKACA P17612 7/20 1.00
PRKACG P22612 7/20 1.00
PRKACB P22694 7/20 1.00
AR P10275 2/20 0.41
GPR35 Q9HC97 2/20 0.41
GLI1 P08151 1/20 0.40
GLI2 P10070 1/20 0.40
NQO1 P15559 1/20 0.31

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
SCHEMBL7980308 0.68 SRC (1.00) SRCPRKACAPRKACGPRKACBAR
SCHEMBL3883791 0.66 SRC (1.00) SRCPRKACAPRKACGPRKACBAR
SCHEMBL29493185 0.66 SRC (0.49) SRCPRKACAPRKACGPRKACBAR
SCHEMBL22738348 0.63 SRC (0.46) SRCPRKACAPRKACGPRKACBGPR35
SCHEMBL12666326 0.61 AR (0.54) SRCPRKACAPRKACGPRKACBAR
SCHEMBL8140912 0.60 SRC (0.58) SRCPRKACAPRKACGPRKACBGPR35
SCHEMBL29878415 0.60 ALOX15 (0.46) SRCPRKACAPRKACGPRKACB
SCHEMBL67808 0.60 ALOX15 (0.46) SRCPRKACAPRKACGPRKACB
SCHEMBL12067595 0.59 SRC (0.56) SRCPRKACAPRKACGPRKACBAR
SCHEMBL18068460 0.59 SRC (0.41) SRCPRKACAPRKACGPRKACBGPR35

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