SCHEMBL30576805

SCHEMBL30576805

O=C(Nc1nc2ccccc2s1)c1ccc(CN2CCN(C(=O)Nc3ccccc3F)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 4/20 0.60
▸ NPC1 O15118 6/20 0.54
▸ RAB9A P51151 6/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ ADORA2A P29274 2/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ ADORA1 P30542 1/20 0.54
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ KDM1A O60341 1/20 0.50
▸ LRRK2 Q5S007 1/20 0.50
▸ SCD O00767 3/20 0.49
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL26606499 1.00 FAAH (0.60) FAAHNPC1RAB9AKDM4EADORA2A
SCHEMBL26606488 0.89 ADORA2A (0.54) FAAHNPC1RAB9AKDM4EADORA2A
SCHEMBL29769922 0.89 ADORA2A (0.54) FAAHNPC1RAB9AKDM4EADORA2A
SCHEMBL27193116 0.89 MEN1 (0.52) FAAHNPC1RAB9AKDM4EADORA2A
SCHEMBL30576820 0.89 MEN1 (0.52) FAAHNPC1RAB9AKDM4EADORA2A
SCHEMBL30576838 0.89 ADORA2A (0.53) FAAHNPC1RAB9AKDM4EADORA2A
SCHEMBL26606537 0.89 ADORA2A (0.53) FAAHNPC1RAB9AKDM4EADORA2A
SCHEMBL29263345 0.88 NPC1 (0.59) NPC1RAB9AKDM4ENFKB1HTT
SCHEMBL29769919 0.88 NPC1 (0.62) FAAHNPC1RAB9AKDM4EADORA2A
SCHEMBL27193124 0.88 NPC1 (0.62) FAAHNPC1RAB9AKDM4EADORA2A

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
CN-122079899-A Application of pharmaceutical composition in preparation of medicines for preventing or treating diseases related to Sirttail 7 protein — 2026-05-26 — — CN disclosed
CN-116829542-A Benzothiazole and benzimidazole derivatives, pharmaceutically acceptable salts, preparation method thereof and pharmaceutical composition containing same as active ingredient 韩国化学研究院 2023-09-29 — — CN disclosed
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