SCHEMBL9402222

SCHEMBL9402222

CCCCc1nnc(-c2ccco2)n1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ ADORA2A P29274 3/20 0.44
▸ ADORA1 P30542 3/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ TLR7 Q9NYK1 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ACHE P22303 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL9402203 0.84 ALDH1A1 (0.45) LMNAADORA2AADORA1ADORA3ADORA2B
SCHEMBL9402286 0.80 POLB (0.43) LMNAPOLBTLR7ACHE
SCHEMBL9402176 0.79 TLR7 (0.47) TLR7ACHEMEN1KMT2A
SCHEMBL9402257 0.75 — —
SCHEMBL4442256 0.74 ALDH1A1 (0.78) LMNAPOLBNPC1ALDH1A1TSHR
SCHEMBL9402406 0.74 ALDH1A1 (0.49) ALDH1A1MEN1KMT2A
SCHEMBL9402270 0.73 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2
SCHEMBL9402501 0.72 ALDH1A1 (0.47) ALDH1A1
SCHEMBL9402388 0.71 ALDH1A1 (0.56) LMNAALDH1A1
SCHEMBL9699713 0.70 TLR7 (0.53) TLR7MEN1KMT2A

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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