SCHEMBL9531708

SCHEMBL9531708

C=CCCc1nc(-c2ccccc2)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.41
AGTR1 P30556 2/20 0.41
NR1H3 Q13133 3/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
NR1H2 P55055 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL8540871 0.89 AGTR1 (0.48) AGTR2AGTR1
SCHEMBL9531729 0.88 AGTR1 (0.40) AGTR2AGTR1
SCHEMBL9529014 0.88 AGTR1 (0.40) AGTR2AGTR1
SCHEMBL9529156 0.87 AGTR2 (0.49) AGTR2AGTR1SMN1; SMN2NPC1CYP1A2
SCHEMBL9531732 0.87 AGTR1 (0.44) AGTR2AGTR1
SCHEMBL9528611 0.87 AGTR1 (0.46) AGTR2AGTR1
SCHEMBL9529786 0.86 AGTR1 (0.44) AGTR2AGTR1
SCHEMBL9529781 0.86 AGTR1 (0.39) AGTR2AGTR1
SCHEMBL9529923 0.86 AGTR1 (0.49) AGTR2AGTR1
SCHEMBL9529729 0.86 AGTR1 (0.38) AGTR2AGTR1

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-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