SCHEMBL8499494

SCHEMBL8499494

O=C(CCc1ccc2ncc(-c3cccc(F)c3)cc2c1)NCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.51
TP53 P04637 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
LMNA P02545 2/20 0.49
HCAR2 Q8TDS4 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CDK8 P49336 3/20 0.47
TBK1 Q9UHD2 1/20 0.47
HPGD P15428 1/20 0.44
FLT3 P36888 1/20 0.44
GAA P10253 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
SCHEMBL8502204 0.92 THRB (0.51) THRBTP53TAAR1LMNAHCAR2
SCHEMBL8504167 0.87 CDK8 (0.47) TP53LMNAHCAR2CDK8
SCHEMBL8501202 0.84 FFAR1 (0.51) HCAR2CDK8
SCHEMBL8499112 0.82 TAAR1 (0.50) THRBTP53TAAR1LMNAHCAR2
SCHEMBL8499164 0.80 PDGFRB (0.52) TP53LMNACDK8
SCHEMBL8502310 0.78 CDK8 (0.47) TP53LMNAHCAR2CDK8
Hydrochloric Acid SCHEMBL8888409 0.74 FFAR1 (0.50) HCAR2CDK8
SCHEMBL8889522 0.72 PDGFRB (0.47)
SCHEMBL8499905 0.72 PDGFRB (0.52) TP53LMNACDK8
SCHEMBL2186352 0.71 HDAC2 (0.72) TAAR1LMNAHPGDGAA

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