SCHEMBL7987368

SCHEMBL7987368

O=c1c2c(O)c(O)ccc2c2cc(O)c(O)cc2n1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 15/20 1.00
PRKACA P17612 4/20 0.74
PRKACG P22612 4/20 0.74
PRKACB P22694 4/20 0.74
NOX4 Q9NPH5 3/20 0.74
P2RX4 Q99571 1/20 0.45
KMT2A Q03164 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
SCHEMBL7981707 0.86 SRC (1.00) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL7980552 0.83 SRC (1.00) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL7987637 0.81 SRC (0.74) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL7981604 0.80 SRC (1.00) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL7984187 0.75 SRC (1.00) SRCPRKACAPRKACGPRKACB
SCHEMBL7981786 0.72 SRC (0.56) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL7981572 0.68 NOX4 (0.68) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL7981611 0.68 NOX4 (0.77) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL7984148 0.67 SRC (1.00) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL9367302 0.67 SRC (1.00) SRCPRKACAPRKACGPRKACBNOX4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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