SCHEMBL9402203

SCHEMBL9402203

CCCCc1nnc(-c2ccco2)n1Cc1ccc(N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ TSHR P16473 3/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TLR7 Q9NYK1 3/20 0.44
▸ USP2 O75604 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GFER P55789 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CYP2C9 P11712 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL9402222 0.84 LMNA (0.49) ALDH1A1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL9402256 0.77 KDM4E (0.45) ALDH1A1TLR7
SCHEMBL9402257 0.77 — —
SCHEMBL9402365 0.71 TLR7 (0.50) TLR7
SCHEMBL9402219 0.70 — —
SCHEMBL9402239 0.68 ALDH1A1 (0.46) ALDH1A1
SCHEMBL29840756 0.68 TLR7 (0.60) TLR7ADORA2A
SCHEMBL29840755 0.68 TLR7 (0.60) TLR7ADORA2A
SCHEMBL9402287 0.67 LMNA (0.51) ALDH1A1HPGDLMNA
SCHEMBL9087992 0.67 AGTR1 (0.70) TLR7

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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