SCHEMBL31470171

SCHEMBL31470171

[C-]#[N+]c1ccc(C(=O)OCC(=O)Nc2c(C)cccc2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.58
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 2/20 0.51
THRB P10828 1/20 0.50
HSP90AA1 P07900 1/20 0.49
ATM Q13315 1/20 0.47
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 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
SCHEMBL31470183 0.86 SMN1; SMN2 (0.59) RXFP1MEN1KMT2ATHRBHTT
Ammonia Solution, Strong SCHEMBL11450673 0.82 RXFP1 (0.60) RXFP1MEN1KMT2AKDM4ETHRB
SCHEMBL31470192 0.80 KDM4E (0.55) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL31470152 0.77 MEN1 (0.69) RXFP1MEN1KMT2AKDM4EHTT
SCHEMBL31470178 0.77 BLM (0.61) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL31470186 0.77 SMN1; SMN2 (0.60) MEN1KMT2AKDM4EHSP90AA1ATM
SCHEMBL31470159 0.76 ALDH1A1 (0.58) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL31470154 0.76 KLK7 (0.54) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL31470181 0.76 ALDH1A1 (0.57) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL31470166 0.76 TSHR (0.69) MEN1KMT2AKDM4EALDH1A1MAPT

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