SCHEMBL31434405

SCHEMBL31434405

C#CCN1CCC(C(=O)NCCO[Si](C)(C)C(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.39
▸ BCHE P06276 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GNAI3 P08754 2/20 0.37
▸ GNAO1 P09471 2/20 0.37
▸ GNAI1 P63096 2/20 0.37
▸ HPGD P15428 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ MAOB P27338 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL15863341 0.84 SMN1; SMN2 (0.41) MAPTTSHRCYP3A4ALDH1A1KMT2A
SCHEMBL15863490 0.82 SMN1; SMN2 (0.50) MAPTTSHRCYP3A4ALDH1A1KMT2A
SCHEMBL15863337 0.82 SMN1; SMN2 (0.46) MAPTTSHRCYP3A4ALDH1A1KMT2A
SCHEMBL15863140 0.76 MAPT (0.34) MAPTTSHRCYP3A4ALDH1A1KMT2A
SCHEMBL31434479 0.70 BCHE (0.34) BCHEALDH1A1KMT2A
SCHEMBL926700 0.68 BCHE (0.50) MAPTBCHEALDH1A1HPGDMAOB
SCHEMBL15941254 0.67 BACE1 (0.32) CYP2C19
SCHEMBL28516262 0.67 MAPK1 (0.40) TSHRALDH1A1HPGDKDM4EUSP2
SCHEMBL26108769 0.67 HRH3 (0.48) MAPTBCHETSHRALDH1A1KMT2A
SCHEMBL15863147 0.66 POLB (0.37) MAPTALDH1A1KDM4E

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-2025051241-A1 MACROCYCLIC COMPOUND AND ANTIBODY-DRUG CONJUGATE THEREOF 劲方医药科技(上海)股份有限公司 2025-03-13 — — WO disclosed
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