SCHEMBL31469575

SCHEMBL31469575

CCCCC(=O)CC(c1ccccc1)n1ncc(-c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOAT2 O75908 4/20 0.40
▸ SOAT1 P35610 4/20 0.40
▸ ADORA1 P30542 2/20 0.39
▸ ADORA3 P0DMS8 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ DAGLA Q9Y4D2 1/20 0.35
▸ TACR3 P29371 2/20 0.35
▸ GSK3A P49840 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL31469475 0.95 SOAT1 (0.46) SOAT2SOAT1ADORA1CES2CES1
SCHEMBL31469546 0.77 HPGD (0.47) NPSR1DAGLANPC1RAB9AKMT2A
SCHEMBL31469505 0.77 MAPT (0.45) NPC1RAB9AKMT2AMAPTPOLB
SCHEMBL31469517 0.76 DAGLA (0.39) ADORA1ADORA3DAGLAMAPTPOLB
SCHEMBL31469542 0.75 HPGD (0.44) DAGLANPC1RAB9AKMT2AMAPT
SCHEMBL31469551 0.74 HPGD (0.41) NPC1RAB9AKMT2AMAPT
SCHEMBL31469561 0.74 PDPK1 (0.44) ADORA3HSD17B10KMT2AMAPTPOLB
SCHEMBL31469540 0.74 DAGLA (0.42) ADORA1ADORA3DAGLAKMT2A
SCHEMBL31469501 0.74 SRC (0.43) NPC1RAB9AKMT2AMAPTPOLB
SCHEMBL31469550 0.74 HPGD (0.41) HSD17B10NPC1RAB9AKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119490463-A Beta-triazole derivative and synthetic method and application thereof 华东师范大学 2025-02-21 — — CN disclosed
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