SCHEMBL11550765

SCHEMBL11550765

CCc1ccc2occ(-c3nnn[nH]3)c(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ RAB9A P51151 4/20 0.34
▸ ADORA2A P29274 3/20 0.34
▸ NPC1 O15118 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ ACHE P22303 1/20 0.32

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
SCHEMBL11548529 0.99 TP53 (0.36) TP53SMN1; SMN2MAPTRAB9AADORA2A
SCHEMBL11503586 0.86 ALOX15 (0.34) TP53SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL11553593 0.81 ALDH1A1 (0.45) TP53SMN1; SMN2MAPTRAB9AADORA2A
SCHEMBL11548968 0.81 MAPT (0.47) TP53SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL29389523 0.78 TP53 (0.46) TP53
SCHEMBL11548259 0.78 NISCH (0.50) SMN1; SMN2MAPTRAB9ANPC1HSD17B10
SCHEMBL10453999 0.75 HTR1A (0.39) RAB9ANPC1TSHRKMT2AALDH1A1
SCHEMBL10743625 0.74 FTO (0.35) TP53SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL11465519 0.74 MAPT (0.42) TP53MAPTRAB9ANPC1MAOB
SCHEMBL11548527 0.73 MAPT (0.41) TP53MAPTRAB9ANPC1MAOB

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
US-4151180-A INTERMEDIATES FOR ANTIALLERGENS, ANTIHISTAMINES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-04-24 — — US disclosed
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