SCHEMBL29844019

SCHEMBL29844019

Cn1nc(-c2ccc(C(F)(F)F)cc2)c2c1CN(C=O)C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 2/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ P2RX7 Q99572 1/20 0.38
▸ TRPM2 O94759 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ TDP2 O95551 1/20 0.37
▸ SPTLC1 O15269 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SCN9A Q15858 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SCN5A Q14524 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL29844044 0.80 HTR2A (0.39) BRD4CREBBPP2RX7SIGMAR1TDP2
SCHEMBL23605538 0.79 KCNK3 (0.52) KCNK3
SCHEMBL28818558 0.79 KCNK3 (0.48) KCNK3BRD4CREBBPP2RX7TRPM2
SCHEMBL29844211 0.74 CTSS (0.46) KCNK3BRD4CREBBPP2RX7TRPM2
SCHEMBL30044769 0.70 SPTLC1 (0.49) KCNK3BRD4CREBBPP2RX7TRPM2
Hydrochloric Acid SCHEMBL31163291 0.69 HTR2A (0.46) TRPM2
SCHEMBL17290703 0.68 SCN9A (0.44) SIGMAR1TDP2SCN9AKDM4EALDH1A1
SCHEMBL29954930 0.68 MEN1 (0.42) SIGMAR1TDP2SCN9AKDM4EALDH1A1
SCHEMBL29954402 0.68 SCN9A (0.41) SIGMAR1TDP2NPC1RAB9ASCN9A
SCHEMBL34469258 0.66 DPP4 (0.40) ALDH1A1NPSR1

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-114901640-A Novel compounds useful for the treatment of dyslipidemia 兹杜斯生命科学有限公司 2022-08-12 — — CN claimed
CN-114901640-A Novel compounds useful for the treatment of dyslipidemia 兹杜斯生命科学有限公司 2022-08-12 — — CN disclosed
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