SCHEMBL31411690

SCHEMBL31411690

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ POLB P06746 2/20 0.55
▸ ALDH1A1 P00352 5/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ USP2 O75604 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 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
SCHEMBL31411660 0.89 LMNA (0.52) SMN1; SMN2POLBALDH1A1CYP2C9CYP2C19
SCHEMBL31411699 0.85 POLB (0.65) SMN1; SMN2POLBALDH1A1KDM4EALOX15
SCHEMBL31411613 0.82 ALDH1A1 (0.44) SMN1; SMN2POLBALDH1A1CYP2C9CYP2C19
SCHEMBL21972975 0.80 ALDH1A1 (0.64) SMN1; SMN2POLBALDH1A1CYP2C9CYP2C19
SCHEMBL29978554 0.80 ALDH1A1 (0.64) SMN1; SMN2POLBALDH1A1CYP2C9CYP2C19
SCHEMBL31411771 0.80 ALDH1A1 (0.39) SMN1; SMN2POLBALDH1A1CYP2C9CYP2C19
SCHEMBL25920701 0.79 POLB (0.67) SMN1; SMN2POLBALDH1A1KDM4EALOX15
SCHEMBL8551997 0.79 POLB (0.70) SMN1; SMN2POLBALDH1A1KDM4EALOX15
SCHEMBL31411648 0.78 MAPT (0.41) SMN1; SMN2POLBALDH1A1CYP2C9CYP2C19
SCHEMBL31411619 0.78 ESR1 (0.42) SMN1; SMN2POLBALDH1A1USP2TSHR

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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