SCHEMBL7984544

SCHEMBL7984544

Oc1cc2c3cc(O)c(O)cc3n(Cc3cccnc3)c2cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 1.00
CNR2 P34972 1/20 0.48
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
GUSB P08236 1/20 0.45
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45
CYP11B1 P15538 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRA5 P31644 1/20 0.44
BRD4 O60885 1/20 0.43
NOX4 Q9NPH5 1/20 0.43
FEN1 P39748 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
PKM P14618 2/20 0.42
MAPK10 P53779 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL7983491 0.80 SRC (1.00) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL7987250 0.78 SRC (0.63) SRCGABRA1GABRA5BRD4ALDH1A1
SCHEMBL19896290 0.77 SRC (0.62) SRCCNR2CHRNB2CHRNA4GUSB
Hydrochloric Acid SCHEMBL19896459 0.76 SRC (0.61) SRCCNR2CHRNB2CHRNA4GUSB
SCHEMBL3419641 0.72 PKM (0.58) SRCCHRNB2CHRNA4GABRA1GABRA5
SCHEMBL27175646 0.71 CNR2 (0.61) SRCCNR2GUSBGABRA1GABRA5
SCHEMBL19896388 0.71 SRC (0.54) SRCCNR2GUSBGABRA1GABRA5
SCHEMBL26966716 0.71 SRC (0.54) SRCCNR2GUSBFEN1
SCHEMBL9367302 0.69 SRC (1.00) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL7962478 0.69 SRC (0.52) SRCCNR2CHRNB2CHRNA4CYP11B1

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