SCHEMBL31411660

SCHEMBL31411660

O=C(O)c1ccc2c(c1)N(CC1CN(c3ccccc3)C1)C(=O)CS2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.52
▸ ALDH1A1 P00352 6/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ USP2 O75604 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MAPT P10636 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL31411690 0.89 SMN1; SMN2 (0.55) LMNAALDH1A1CYP2C9CYP2C19USP2
SCHEMBL31411613 0.86 ALDH1A1 (0.44) LMNAALDH1A1CYP2C9CYP2C19USP2
SCHEMBL31411772 0.85 LMNA (0.60) LMNAALDH1A1CYP2C9CYP2C19USP2
SCHEMBL31411771 0.84 ALDH1A1 (0.39) LMNAALDH1A1CYP2C9CYP2C19TSHR
SCHEMBL31411648 0.81 MAPT (0.41) LMNAALDH1A1CYP2C9CYP2C19USP2
SCHEMBL31411619 0.80 ESR1 (0.42) LMNAALDH1A1USP2TSHRNPSR1
SCHEMBL23768992 0.78 ALDH1A1 (0.71) LMNAALDH1A1CYP2C9CYP2C19NPSR1
SCHEMBL29978848 0.78 ALDH1A1 (0.71) LMNAALDH1A1CYP2C9CYP2C19NPSR1
SCHEMBL10022667 0.76 LMNA (0.68) LMNAALDH1A1CYP2C9CYP2C19USP2
SCHEMBL24124284 0.76 LMNA (0.64) LMNAALDH1A1CYP2C9CYP2C19MAPT

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
CN-119330982-A Azetidine compound and medical application thereof 中国科学院上海药物研究所 2025-01-21 — — CN disclosed
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