SCHEMBL7984148

SCHEMBL7984148

O=[N+]([O-])c1ccc(S(=O)(=O)n2c3cc(O)c(O)cc3c3ccc(O)c(O)c32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRC P12931 14/20 1.00
PRKACA P17612 6/20 0.53
PRKACG P22612 6/20 0.53
PRKACB P22694 6/20 0.53
NOX4 Q9NPH5 2/20 0.46
NOD1 Q9Y239 1/20 0.40
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
PTGS2 P35354 1/20 0.39
PARL Q9H300 1/20 0.39

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
SCHEMBL7987642 0.74 SRC (0.65) SRCPRKACAPRKACGPRKACB
SCHEMBL7980253 0.71 SRC (0.55) SRCNOD1PTGS2
SCHEMBL7988542 0.70 SRC (1.00) SRCPRKACAPRKACGPRKACB
SCHEMBL7987613 0.69 SRC (1.00) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL7969684 0.69 SRC (1.00) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL7987368 0.67 SRC (1.00) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL7980678 0.67 SRC (1.00) SRCPRKACAPRKACGPRKACB
SCHEMBL5594350 0.64 CA1 (0.55) SRCNOD1PARL
4-Nitrocatechol SCHEMBL2977451 0.63 GPR35 (0.60) GAATHRBPTGS2
4-Nitrocatechol SCHEMBL2977452 0.63 GPR35 (0.60) GAATHRBPTGS2

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