SCHEMBL31563030

SCHEMBL31563030

COC(=O)/C=C(/Nc1ccc(F)cc1C)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 5/20 0.43
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL31563093 0.89 MAPT (0.50) ALDH1A1MAPTLMNAKDM4EKMT2A
SCHEMBL31563510 0.87 NPC1 (0.50) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL31563118 0.85 MAPT (0.45) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL6893764 0.84 MAPT (0.50) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL31563055 0.83 RAB9A (0.35) MAPTKMT2ASMN1; SMN2MEN1HTT
SCHEMBL31552639 0.81 KCNMA1 (0.49) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL13509390 0.78 MAPT (0.33) ALDH1A1MAPTLMNAKDM4EKMT2A
SCHEMBL10136752 0.78 MAPT (0.33) ALDH1A1MAPTLMNAKDM4EKMT2A
SCHEMBL4621411 0.78 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL4621414 0.78 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EKMT2ASMN1; 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
WO-2025077773-A1 NOVEL TYPE I TOPOISOMERASE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊维康医药有限责任公司 2025-04-17 — — WO disclosed
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