SCHEMBL9402286

SCHEMBL9402286

CCCCc1nnc(-c2ccncc2)n1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.43
▸ TLR7 Q9NYK1 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL9402256 0.82 KDM4E (0.45) TLR7KDM4E
SCHEMBL9402176 0.81 TLR7 (0.47) TLR7ACHEL3MBTL1
SCHEMBL9402222 0.80 LMNA (0.49) POLBTLR7ACHELMNA
SCHEMBL9402406 0.76 ALDH1A1 (0.49) —
SCHEMBL9402501 0.74 ALDH1A1 (0.47) —
SCHEMBL9402388 0.73 ALDH1A1 (0.56) LMNA
SCHEMBL9402270 0.73 ALDH1A1 (0.67) —
SCHEMBL28489677 0.72 PDE6D (0.56) LMNANPSR1
SCHEMBL7412061 0.72 ALDH1A1 (0.55) LMNA
SCHEMBL9402379 0.72 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5336778-A Substituted triazoles as angiotensin II antagonists MERCK & CO., INC. (US) 1994-08-09 — — US disclosed
EP-0409332-A2 Substituted triazoles as angiotensin II antagonists MERCK & CO. INC. (US) 1991-01-23 — — EP disclosed
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