SCHEMBL7987613

SCHEMBL7987613

O=C(c1cccc([N+](=O)[O-])c1)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 11/20 1.00
PRKACA P17612 8/20 1.00
PRKACG P22612 8/20 1.00
PRKACB P22694 8/20 1.00
RXFP1 Q9HBX9 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
NOX4 Q9NPH5 1/20 0.44
TP53 P04637 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL7983687 0.76 SRC (1.00) SRCPRKACAPRKACGPRKACB
SCHEMBL7987588 0.75 SRC (1.00) SRCPRKACAPRKACGPRKACB
SCHEMBL7987590 0.74 SRC (1.00) SRCPRKACAPRKACGPRKACB
SCHEMBL7970463 0.74 SRC (1.00) SRCPRKACAPRKACGPRKACB
SCHEMBL7983604 0.73 SRC (0.58) SRCPRKACAPRKACGPRKACBRXFP1
SCHEMBL7984148 0.69 SRC (1.00) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL7987341 0.68 SRC (0.64) SRCPRKACAPRKACGPRKACB
SCHEMBL7970464 0.68 SRC (0.64) SRCPRKACAPRKACGPRKACB
SCHEMBL7980254 0.67 SRC (1.00) SRCPRKACAPRKACGPRKACBALDH1A1
SCHEMBL11013338 0.65 ELANE (0.65) SRCPRKACAPRKACGPRKACBRXFP1

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