SCHEMBL7980552

SCHEMBL7980552

O=c1c2c(O)c(O)ccc2c2cc(O)c(O)cc2n1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 1.00
PRKACA P17612 8/20 0.56
PRKACG P22612 8/20 0.56
PRKACB P22694 8/20 0.56
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NOX4 Q9NPH5 2/20 0.49

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
SCHEMBL7981604 0.89 SRC (1.00) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL7987637 0.85 SRC (0.74) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL7984187 0.83 SRC (1.00) SRCPRKACAPRKACGPRKACB
SCHEMBL9367302 0.83 SRC (1.00) SRCPRKACAPRKACGPRKACBMEN1
SCHEMBL7987368 0.83 SRC (1.00) SRCPRKACAPRKACGPRKACBKMT2A
SCHEMBL7981658 0.81 SRC (1.00) SRCPRKACAPRKACGPRKACB
SCHEMBL7981611 0.80 NOX4 (0.77) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL7983491 0.80 SRC (1.00) SRCPRKACAPRKACGPRKACBMEN1
SCHEMBL7987325 0.73 SRC (1.00) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL7981059 0.72 SRC (1.00) SRCPRKACAPRKACGPRKACBALDH1A1

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