SCHEMBL31563055

SCHEMBL31563055

COC(=O)/C=C(/Nc1cc(F)c(F)cc1C)C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ P2RX7 Q99572 1/20 0.30
▸ GPR35 Q9HC97 1/20 0.30

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 0.83 MAPT (0.50) SMN1; SMN2MAPTHTTPOLBMEN1
SCHEMBL31563030 0.83 ALDH1A1 (0.43) RAB9ASMN1; SMN2MAPTHTTMEN1
SCHEMBL31563510 0.78 NPC1 (0.50) RAB9ASMN1; SMN2MAPTHTTPOLB
SCHEMBL6893764 0.78 MAPT (0.50) RAB9ASMN1; SMN2MAPTHTTPOLB
SCHEMBL14921880 0.78 RAB9A (0.50) RAB9ASMN1; SMN2MAPTHTTPOLB
SCHEMBL14932943 0.77 HTT (0.39) RAB9ASMN1; SMN2HTTPOLBMEN1
SCHEMBL31080641 0.76 KMT2A (0.48) RAB9ASMN1; SMN2MAPTHTTPOLB
SCHEMBL13509390 0.75 MAPT (0.33) RAB9ASMN1; SMN2MAPTHTTPOLB
SCHEMBL10136752 0.75 MAPT (0.33) RAB9ASMN1; SMN2MAPTHTTPOLB
SCHEMBL31563118 0.73 MAPT (0.45) RAB9ASMN1; SMN2MAPTHTTMEN1

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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