SCHEMBL7921252

SCHEMBL7921252

Cc1oc(-c2ccccc2)nc1CCC(=O)c1ccc(CC2S[N+](=O)NC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.46
PPARA Q07869 14/20 0.46
CYP2C9 P11712 3/20 0.46
CYP3A4 P08684 2/20 0.46
KCNH2 Q12809 2/20 0.46
FFAR1 O14842 1/20 0.42
PPARD Q03181 3/20 0.42
KDM4E B2RXH2 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
SCHEMBL5278893 0.86 PPARG (0.58) PPARGPPARACYP2C9CYP3A4KCNH2
Darglitazone SCHEMBL9436449 0.85 PPARG (0.48) PPARGPPARACYP2C9CYP3A4KCNH2
Darglitazone SCHEMBL20125582 0.85 PPARG (0.48) PPARGPPARACYP2C9CYP3A4KCNH2
Darglitazone SCHEMBL37497 0.85 PPARG (0.48) PPARGPPARACYP2C9CYP3A4KCNH2
Darglitazone SCHEMBL674635 0.84 PPARG (0.48) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL2787459 0.82 PPARG (0.44) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL7927937 0.81 PPARG (0.46) PPARGPPARACYP2C9CYP3A4KCNH2
Darglitazone SCHEMBL243882 0.80 PPARG (0.44) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL13960286 0.80 KDM4E (0.55) PPARGPPARAFFAR1PPARDKDM4E
SCHEMBL9097431 0.79 PPARG (0.48) PPARGPPARACYP2C9CYP3A4KCNH2

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-1143953-A3 METHOD OF INHIBITING ANGIOGENESIS Genentech, Inc. (US) 2002-02-06 EP disclosed
EP-1143953-A2 METHOD OF INHIBITING ANGIOGENESIS Genentech, Inc. (US) 2001-10-17 EP disclosed
WO-2000030628-A2 METHOD OF INHIBITING ANGIOGENESIS GENENTECH, INC. (US) 2000-06-02 WO disclosed