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SCHEMBL31411677

SCHEMBL31411677

O=C(Nc1c[nH]c2ccccc12)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.57
▸ LMNA P02545 2/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ POLB P06746 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ TP53 P04637 3/20 0.54
▸ NPC1 O15118 1/20 0.51

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
SCHEMBL31411674 0.93 MAPT (0.50) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL31411719 0.90 MAPT (0.50) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL31411765 0.88 MAPT (0.56) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL31411735 0.88 ALDH1A1 (0.52) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL31411828 0.87 MAPT (0.59) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL31411702 0.87 MAPT (0.49) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL25138317 0.86 STING1 (0.49) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL31411616 0.86 ALDH1A1 (0.46) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL29979063 0.86 STING1 (0.49) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL31411736 0.86 TP53 (0.44) MAPTLMNASMN1; SMN2POLBALDH1A1

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