SCHEMBL31411607

SCHEMBL31411607

O=C(Nc1ccc2c(c1)N(CC1CN(c3ccccc3)C1)C(=O)CS2)Nc1c[nH]c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 12/20 0.44
▸ MAPT P10636 5/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HTT P42858 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ USP2 O75604 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALOX15 P16050 1/20 0.39

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
SCHEMBL31411636 0.89 ALOX15 (0.42) STING1MAPTALDH1A1MEN1KMT2A
SCHEMBL31411648 0.88 MAPT (0.41) MAPTALDH1A1SMN1; SMN2USP2TP53
SCHEMBL31411724 0.85 MAPT (0.44) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL25138317 0.84 STING1 (0.49) STING1MAPTALDH1A1HTTMEN1
SCHEMBL29979063 0.84 STING1 (0.49) STING1MAPTALDH1A1HTTMEN1
SCHEMBL31411603 0.81 STING1 (0.46) STING1MAPTALDH1A1
SCHEMBL25037514 0.80 STING1 (0.51) STING1MAPTALDH1A1HTTMEN1
SCHEMBL30191392 0.80 STING1 (0.51) STING1MAPTALDH1A1HTTMEN1
SCHEMBL25037517 0.80 STING1 (0.46) STING1MAPTALDH1A1HTTMEN1
SCHEMBL30191932 0.80 STING1 (0.46) STING1MAPTALDH1A1HTTMEN1

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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