SCHEMBL9498700

SCHEMBL9498700

Cc1ccc(-c2nc3ccccn3c2C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.58
▸ RAB9A P51151 7/20 0.58
▸ ALDH1A1 P00352 6/20 0.58
▸ MAPT P10636 5/20 0.51
▸ KDM4E B2RXH2 5/20 0.51
▸ ADORA1 P30542 3/20 0.50
▸ TP53 P04637 3/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ GAA P10253 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ ADORA2A P29274 1/20 0.44
▸ ADORA2B P29275 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ PKM P14618 2/20 0.42

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
SCHEMBL22615060 0.85 KDM4E (0.54) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL22615072 0.83 NPC1 (0.56) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL9498729 0.82 RAB9A (0.45) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL24517687 0.82 NPC1 (0.54) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL14646318 0.80 NPC1 (0.77) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL8091720 0.79 NPC1 (0.54) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL953657 0.78 KMT2A (0.50) NPC1ALDH1A1MAPTKDM4EMAPK1
SCHEMBL22615082 0.77 NPC1 (0.62) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL18221717 0.77 NPC1 (0.63) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL22614948 0.77 KDM4E (0.45) NPC1RAB9AALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225414-A SUBSTITUTED AZOLES, A PROCESS FOR THEIR PREPARATION, AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-06 — — US disclosed
US-5215994-A Treating or preventing hypertension or heart failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-01 — — US disclosed
US-5210092-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 — — US disclosed
EP-0480204-A1 Imidazole derivatives, potent and selective antagonists of angiotensin II receptor FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 — — EP disclosed
EP-0468372-A2 Substituted azoles, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-29 — — EP disclosed
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