SCHEMBL5970916

SCHEMBL5970916

CCCCc1cccc(N=CNO)c1C

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 11/20 0.76
CYP2D6 P10635 6/20 0.76
CYP3A4 P08684 5/20 0.76
CYP4Z1 Q86W10 5/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP4F11 Q9HBI6 2/20 0.55
CYP4F12 Q9HCS2 2/20 0.55
CYP19A1 P11511 1/20 0.42
LIPG Q9Y5X9 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
BID P55957 2/20 0.33
BCL2L1 Q07817 2/20 0.33
MCL1 Q07820 2/20 0.33
BAK1 Q16611 2/20 0.33

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
SCHEMBL10982682 0.73 LIPG (0.45) CYP2C9CYP2D6CYP3A4LIPGALOX5
SCHEMBL3920104 0.71 CYP3A4 (0.59) CYP2C9CYP2D6CYP3A4LIPGALOX5
SCHEMBL822159 0.69 TYR (0.53) ALOX5PTGS2BIDBCL2L1MCL1
SCHEMBL2524117 0.68 CYP3A4 (0.41) CYP2C9CYP2D6CYP3A4LIPGALOX5
SCHEMBL630180 0.68 LIPG (0.41) CYP2C9CYP2D6CYP3A4LIPGALOX5
SCHEMBL21765629 0.67 CYP3A4 (0.68) CYP2C9CYP2D6CYP3A4LIPGALOX5
SCHEMBL11858843 0.67 CYP3A4 (0.50) CYP2C9CYP2D6CYP3A4CYP4Z1CYP1A2
SCHEMBL19487090 0.66 CYP3A4 (0.38) CYP2C9CYP2D6CYP3A4LIPGALOX5
SCHEMBL8095512 0.66 BID (0.42) CYP2C9CYP2D6CYP3A4LIPGALOX5
SCHEMBL819273 0.65 LIPG (0.45) CYP2C9CYP2D6CYP3A4LIPGALOX5

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
EP-1682153-A2 METHODS OF MODULATING ANGIOGENESIS AND CANCER CELL PROLIFERATION MCW Research Foundation, Inc. (US) 2006-07-26 EP disclosed
US-20050124618-A1 Methods of modulating angiogenesis and cancer cell proliferation HENRY FORD HEALTH SYSTEM 2005-06-09 US disclosed
WO-2005046658-A2 METHODS OF MODULATING ANGIOGENESIS AND CANCER CELL PROLIFERATION MCW RESEARCH FOUNDATION, INC. (US) 2005-05-26 WO disclosed