SCHEMBL31411636

SCHEMBL31411636

O=C(Nc1ccc2c(c1)N(CC1CN(c3ccc4c(c3)OCO4)C1)C(=O)CS2)Nc1c[nH]c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ STING1 Q86WV6 9/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TSHR P16473 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL31411607 0.89 STING1 (0.44) ALOX15MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL31411591 0.82 NPC1 (0.36) ALOX15MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL25037387 0.78 ALOX15 (0.43) ALOX15MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL30191025 0.78 ALOX15 (0.43) ALOX15MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL31411648 0.78 MAPT (0.41) SMN1; SMN2NPC1MAPTTSHRUSP2
SCHEMBL25138317 0.77 STING1 (0.49) SMN1; SMN2STING1MEN1KMT2AMAPT
SCHEMBL29979063 0.77 STING1 (0.49) SMN1; SMN2STING1MEN1KMT2AMAPT
SCHEMBL25037520 0.75 STING1 (0.45) ALOX15MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL30191259 0.75 STING1 (0.45) ALOX15MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL25037514 0.75 STING1 (0.51) SMN1; SMN2STING1MEN1KMT2AMAPT

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
Send feedback