SCHEMBL8501202

SCHEMBL8501202

O=C(O)CCc1ccc2ncc(-c3cccc(F)c3)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.51
MET P08581 1/20 0.48
FFAR4 Q5NUL3 4/20 0.48
PTGDR2 Q9Y5Y4 2/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
MME P08473 1/20 0.45
MMEL1 Q495T6 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
CDK8 P49336 1/20 0.44
RHOA P61586 1/20 0.44
HPN P05981 1/20 0.43
AKR1B1 P15121 1/20 0.43
HCAR2 Q8TDS4 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
Hydrochloric Acid SCHEMBL8888409 0.89 FFAR1 (0.50) FFAR1FFAR4PTGDR2PDGFRBPDGFRA
SCHEMBL8499164 0.86 PDGFRB (0.52) FFAR1METPDGFRBPDGFRACDK8
SCHEMBL8504167 0.84 CDK8 (0.47) METPDGFRBPDGFRAEGLN1CDK8
SCHEMBL8499494 0.84 THRB (0.51) CDK8HCAR2
SCHEMBL8499648 0.81 PDE3B (0.55) FFAR1FFAR4PDGFRBPDGFRA
SCHEMBL8889522 0.80 PDGFRB (0.47) FFAR1METFFAR4PDGFRBPDGFRA
SCHEMBL8499166 0.80 PSMB5 (0.54) FFAR1FFAR4HPN
SCHEMBL8499693 0.78 PDGFRB (0.52) PDGFRBPDGFRAEGLN1
Hydrochloric Acid SCHEMBL8501955 0.77 PDGFRB (0.49) METPDGFRBPDGFRA
SCHEMBL8889438 0.77 PDGFRB (0.55) PDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 US claimed
US-RE36256-E ADMINISTERING ARYL-SUBSTITUTED QUINOXALINE DERIVATIVES AS ANTIPROLIFERATIVE, ANTICARCINOGENIC AND ANTITUMOR AGENTS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-20 US disclosed
US-5795889-A INHIBITING CELL GROWTH WITH ENZYME INHIBITORS FOR SKIN DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-08-18 US disclosed
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 US disclosed
US-5480883-A Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-01-02 US disclosed