SCHEMBL8103632

SCHEMBL8103632

C/C=C/Cc1nc(C/C=C/C)n(Cc2ccc(-c3cccc(C(=O)O)c3)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
DHFR P00374 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE7A Q13946 1/20 0.40
PDE7B Q9NP56 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
KMO O15229 1/20 0.39
MGLL Q99685 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL8103636 1.00 PPARG (0.49) PPARGDHFRNPC1RAB9ASMN1; SMN2
SCHEMBL8111081 0.88 CA1 (0.42) PPARGNPC1RAB9ASMN1; SMN2
SCHEMBL8111078 0.88 CA1 (0.42) PPARGNPC1RAB9ASMN1; SMN2
SCHEMBL8109452 0.85 PPARG (0.48) PPARGDHFRNPC1RAB9ASMN1; SMN2
SCHEMBL8109451 0.85 PPARG (0.48) PPARGDHFRNPC1RAB9ASMN1; SMN2
SCHEMBL6006616 0.80 AGTR1 (0.55) PPARG
SCHEMBL6006614 0.80 AGTR1 (0.55) PPARG
SCHEMBL8105380 0.80 PPARG (0.62) PPARGDHFRNPC1RAB9ASMN1; SMN2
SCHEMBL9738109 0.80 FOLH1 (0.44) PPARGLTB4R2
SCHEMBL9738115 0.80 FOLH1 (0.44) PPARGLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3098772-B2 2000-10-16 JP claimed
EP-0527851-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-02-24 EP claimed
WO-1991017148-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-11-14 WO claimed
EP-0527851-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-02-24 EP disclosed
US-5098920-A Hypotensive agents and treatment of congestive heart failure G. D. SEARLE & CO. (US) 1992-03-24 US disclosed
WO-1991017148-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-11-14 WO disclosed