SCHEMBL31470170

SCHEMBL31470170

[C-]#[N+]c1cc(C)c(C(=O)OCC(=O)Nc2ccccc2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 3/20 0.48
NOTUM Q6P988 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KLK7 P49862 1/20 0.46
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
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
SCHEMBL31470195 0.83 RAB9A (0.54) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL31470182 0.83 KDM4E (0.56) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL31470192 0.79 KDM4E (0.55) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL11226437 0.74 L3MBTL1 (0.67) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL31470197 0.73 MEN1 (0.58) LMNANPC1RAB9AALDH1A1KMT2A
SCHEMBL31470159 0.72 ALDH1A1 (0.58) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL10996044 0.72 ALDH1A1 (0.63) MAPTLMNANPC1ALDH1A1KMT2A
SCHEMBL31470183 0.70 SMN1; SMN2 (0.59) MAPTLMNARAB9AALDH1A1KMT2A
SCHEMBL4594156 0.70 SMN1; SMN2 (0.74) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL31470171 0.68 RXFP1 (0.58) MAPTLMNANPC1ALDH1A1KMT2A

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