SCHEMBL31470197

SCHEMBL31470197

[C-]#[N+]c1cc(C)c(C(=O)OCC(=O)NC2CCCCC2)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
RAB9A P51151 3/20 0.58
L3MBTL1 Q9Y468 3/20 0.56
POLB P06746 3/20 0.54
TDP1 Q9NUW8 3/20 0.53
LMNA P02545 2/20 0.53
NPC1 O15118 2/20 0.53
MAPK1 P28482 1/20 0.53
PABPC1 P11940 1/20 0.53
EIF4H Q15056 1/20 0.53
RECQL P46063 1/20 0.53
ALDH1A1 P00352 1/20 0.53
ATM Q13315 1/20 0.50

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
SCHEMBL31470176 0.79 KMT2A (0.70) MEN1KMT2ARAB9AL3MBTL1POLB
SCHEMBL31470190 0.79 KMT2A (0.70) MEN1KMT2ARAB9AL3MBTL1POLB
SCHEMBL31470160 0.78 KMT2A (0.71) MEN1KMT2AL3MBTL1POLBTDP1
SCHEMBL31470170 0.73 MAPT (0.53) MEN1KMT2ARAB9ATDP1LMNA
SCHEMBL31470182 0.70 KDM4E (0.56) KMT2ARAB9AL3MBTL1POLBTDP1
SCHEMBL31470195 0.70 RAB9A (0.54) KMT2ARAB9AL3MBTL1POLBTDP1
SCHEMBL11285606 0.68 KMT2A (0.97) MEN1KMT2ARAB9AL3MBTL1POLB
SCHEMBL10144124 0.66 LMNA (0.81) MEN1KMT2ARAB9AL3MBTL1LMNA
SCHEMBL3457698 0.65 MEN1 (0.73) MEN1KMT2ARAB9ALMNANPC1
SCHEMBL2091358 0.65 NPSR1 (1.00) MEN1KMT2ARAB9AL3MBTL1NPC1

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-2025027448-A1 ANTIBACTERIAL AGENTS, COMPOSITIONS AND USES THEREOF Università Degli Studi del Piemonte Orientale “Amedeo Avogadro” (IT) 2025-02-06 WO disclosed