SCHEMBL31295036

SCHEMBL31295036

CNC1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ CYP3A4 P08684 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.31
▸ CARM1 Q86X55 1/20 0.31
▸ PRMT6 Q96LA8 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ PRMT8 Q9NR22 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ MERTK Q12866 1/20 0.31
▸ TACR1 P25103 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30

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
SCHEMBL14461324 0.89 BACE1 (0.43) BACE1CYP3A4HTTSMN1; SMN2
SCHEMBL14631540 0.83 BACE1 (0.38) BACE1KDM1AMAOBSMN1; SMN2
SCHEMBL14631539 0.83 BACE1 (0.38) BACE1KDM1AMAOBSMN1; SMN2
SCHEMBL19984341 0.83 BACE1 (0.40) BACE1CYP3A4HTTSMN1; SMN2
SCHEMBL29498916 0.82 BACE1 (0.42) BACE1CYP3A4HTTSMN1; SMN2
SCHEMBL14630715 0.81 BACE1 (0.40) BACE1KDM1AMAOBCYP3A4HTT
SCHEMBL4797973 0.81 BACE1 (0.40) BACE1CYP3A4HTTSMN1; SMN2
SCHEMBL14630717 0.81 BACE1 (0.40) BACE1KDM1AMAOBCYP3A4HTT
SCHEMBL241741 0.81 BACE1 (0.40) BACE1CYP3A4HTTSMN1; SMN2
SCHEMBL359522 0.81 BACE1 (0.40) BACE1CYP3A4HTTSMN1; SMN2

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
WO-2024245310-A1 THIAZOLYL OR THIADIAZOLYL AMIDES DERIVATIVES AND USE THEREOF NINGBO NEWBAY TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2024-12-05 — — WO disclosed
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