SCHEMBL29769918

SCHEMBL29769918

O=C(Nc1nc2ccccc2s1)c1ccc(CN2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 6/20 0.64
▸ PRKAG1 P54619 6/20 0.64
▸ PRKAA2 P54646 6/20 0.64
▸ PRKAA1 Q13131 6/20 0.64
▸ PRKAG3 Q9UGI9 6/20 0.64
▸ PRKAG2 Q9UGJ0 6/20 0.64
▸ PRKAB1 Q9Y478 6/20 0.64
▸ FAAH O00519 4/20 0.63
▸ HIF1A Q16665 4/20 0.61
▸ EPAS1 Q99814 4/20 0.61
▸ ADORA2A P29274 1/20 0.53
▸ ADORA1 P30542 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50

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
SCHEMBL26606517 1.00 PRKAB2 (0.64) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29769919 0.91 NPC1 (0.62) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL27193124 0.91 NPC1 (0.62) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30576806 0.91 ADORA2A (0.60) FAAHADORA2AADORA1KDM4ENPC1
SCHEMBL26606491 0.91 ADORA2A (0.60) FAAHADORA2AADORA1KDM4ENPC1
SCHEMBL26606504 0.90 ADORA2A (0.64) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29769923 0.90 ADORA2A (0.64) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29769910 0.90 FAAH (0.60) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29769932 0.90 FAAH (0.60) FAAHADORA2AADORA1KDM4ENPC1
SCHEMBL26606543 0.90 FAAH (0.60) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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 3 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
WO-2022164135-A1 BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2022-08-04 — — WO disclosed
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