SCHEMBL31411651

SCHEMBL31411651

Cn1ccc(CN2C(=O)CSc3ccc(C(=O)O)cc32)n1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.59
▸ NPC1 O15118 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ USP2 O75604 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ POLB P06746 2/20 0.45

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
SCHEMBL31411768 0.88 POLB (0.61) LMNANPC1ALDH1A1CYP2C9CYP2C19
SCHEMBL25920681 0.80 LMNA (0.69) LMNANPC1ALDH1A1CYP2C9CYP2C19
SCHEMBL10022667 0.80 LMNA (0.68) LMNANPC1ALDH1A1CYP2C9CYP2C19
SCHEMBL23768992 0.79 ALDH1A1 (0.71) LMNANPC1ALDH1A1CYP2C9CYP2C19
SCHEMBL29978848 0.79 ALDH1A1 (0.71) LMNANPC1ALDH1A1CYP2C9CYP2C19
SCHEMBL25920685 0.78 LMNA (0.66) LMNANPC1ALDH1A1CYP2C9CYP2C19
SCHEMBL31411736 0.78 TP53 (0.44) LMNANPC1ALDH1A1NPSR1L3MBTL1
SCHEMBL30270516 0.75 LMNA (1.00) LMNANPC1ALDH1A1USP2TSHR
SCHEMBL2636675 0.75 LMNA (1.00) LMNANPC1ALDH1A1USP2TSHR
SCHEMBL31411570 0.75 ALDH1A1 (0.58) LMNANPC1ALDH1A1CYP2C9CYP2C19

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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