SCHEMBL29369074

SCHEMBL29369074

Cc1cccc(-n2ncc3cnc(Cl)cc32)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 5/20 0.54
▸ NPC1 O15118 5/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ PAX8 Q06710 1/20 0.51
▸ HTT P42858 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ BLM P54132 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ GRM1 Q13255 1/20 0.44
▸ NR3C1 P04150 1/20 0.43
▸ NPBWR1 P48145 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ MAP4K1 Q92918 2/20 0.41
▸ SMO Q99835 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ ALDH1A1 P00352 2/20 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
SCHEMBL22559658 1.00 KHK (0.54) KHKNPC1RAB9APAX8HTT
SCHEMBL24852360 0.83 KHK (0.49) KHKNPC1RAB9APAX8HTT
SCHEMBL31738193 0.83 KHK (0.49) KHKNPC1RAB9APAX8HTT
SCHEMBL22567093 0.83 KHK (0.67) KHKNPC1RAB9APAX8HTT
Hydrochloric Acid SCHEMBL22559632 0.82 KHK (0.66) KHKNPC1RAB9APAX8HTT
Hydrochloric Acid SCHEMBL29397092 0.82 KHK (0.66) KHKNPC1RAB9APAX8HTT
SCHEMBL22567077 0.80 KHK (0.64) KHKNPC1RAB9APAX8HTT
SCHEMBL2548808 0.77 KHK (0.56) KHKNPC1RAB9APAX8HTT
SCHEMBL30464135 0.77 KHK (0.56) KHKNPC1RAB9APAX8HTT
SCHEMBL23711747 0.75 KHK (0.58) KHKNPC1RAB9APAX8HTT

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
Send feedback