SCHEMBL31470195

SCHEMBL31470195

[C-]#[N+]c1cc(C)c(C(=O)OCC(=O)Nc2ccccc2F)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
ALDH1A1 P00352 6/20 0.53
GAA P10253 2/20 0.53
POLB P06746 2/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL31470182 0.86 KDM4E (0.56) RAB9ANPC1ALDH1A1GAAPOLB
SCHEMBL31470170 0.83 MAPT (0.53) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL31470181 0.81 ALDH1A1 (0.57) RAB9ANPC1ALDH1A1GAAPOLB
SCHEMBL31470183 0.74 SMN1; SMN2 (0.59) RAB9AALDH1A1GAAPOLBMAPT
SCHEMBL31656350 0.70 TSHR (0.68) RAB9ANPC1ALDH1A1GAAPOLB
SCHEMBL31470197 0.70 MEN1 (0.58) RAB9ANPC1ALDH1A1POLBKMT2A
SCHEMBL31470150 0.67 KMT2A (0.65) RAB9ANPC1ALDH1A1POLBMAPT
SCHEMBL14967653 0.67 MAPT (0.56) RAB9ANPC1ALDH1A1GAAPOLB
SCHEMBL2010247 0.66 SMN1; SMN2 (0.69) RAB9ANPC1ALDH1A1GAAPOLB
SCHEMBL7141242 0.66 SMN1; SMN2 (0.58) RAB9ANPC1ALDH1A1GAAPOLB

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