SCHEMBL31411619

SCHEMBL31411619

O=C(Nc1ccc2cc[nH]c2c1)c1ccc2c(c1)N(CC1CN(c3ccccc3)C1)C(=O)CS2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 5/20 0.42
▸ MAPT P10636 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL31411724 0.91 MAPT (0.44) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL31411638 0.84 MAPT (0.58) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL31411648 0.82 MAPT (0.41) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL23769395 0.81 MAPT (0.56) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL30343023 0.81 MAPT (0.56) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL31411660 0.80 LMNA (0.52) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL31411690 0.78 SMN1; SMN2 (0.55) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL31411793 0.77 MAPT (0.51) ESR1MAPTPOLBALDH1A1LMNA
SCHEMBL31411607 0.76 STING1 (0.44) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL23768795 0.74 MAPT (0.49) MAPTPOLBALDH1A1LMNASMN1; SMN2

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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