SCHEMBL29369336

SCHEMBL29369336

Cc1cccc(-n2ncc3ccc(N)cc32)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 6/20 0.65
▸ IRAK4 Q9NWZ3 7/20 0.52
▸ KMT2A Q03164 2/20 0.51
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ PAX8 Q06710 1/20 0.46
▸ NR3C1 P04150 1/20 0.44

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
SCHEMBL22559642 1.00 KHK (0.65) KHKIRAK4KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL22559630 0.99 KHK (0.64) KHKIRAK4KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL29368359 0.99 KHK (0.64) KHKIRAK4KMT2ANPC1RAB9A
SCHEMBL22567077 0.88 KHK (0.64) KHKIRAK4KMT2ANPC1RAB9A
SCHEMBL22126706 0.83 KHK (0.61) KHKIRAK4KMT2ANPC1RAB9A
SCHEMBL23711747 0.82 KHK (0.58) KHKIRAK4KMT2ANPC1RAB9A
SCHEMBL2548808 0.81 KHK (0.56) KHKKMT2ANPC1RAB9AKDM4E
SCHEMBL30464135 0.81 KHK (0.56) KHKKMT2ANPC1RAB9AKDM4E
SCHEMBL31279805 0.81 KHK (0.74) KHKIRAK4KMT2ANPC1RAB9A
SCHEMBL23711713 0.81 KHK (0.74) KHKIRAK4KMT2ANPC1RAB9A

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
EP-3955914-A1 NOVEL COMPOUNDS AND METHODS OF USE TREATING FRUCTOSE-RELATED DISORDERS OR DISEASES Colorado Research Partners, LLC (US) 2022-02-23 — — EP disclosed
CN-114007602-A Novel compounds and methods of use for treating fructose-related disorders or diseases 科罗拉多研究合作伙伴有限责任公司 2022-02-01 — — CN disclosed
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