SCHEMBL31470144

SCHEMBL31470144

[C-]#[N+]c1ccc(C(=O)NCC(=O)NC2CCCCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TAOK1 Q7L7X3 1/20 0.45
TAOK3 Q9H2K8 1/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
EPHX2 P34913 1/20 0.43
EPHX1 P07099 1/20 0.43
KMT2A Q03164 1/20 0.43

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 0.78 KMT2A (0.70) RAB9AALDH1A1KMT2A
SCHEMBL31470190 0.78 KMT2A (0.70) RAB9AALDH1A1KMT2A
SCHEMBL10131753 0.77 CCR2 (0.56) RAB9ANPC1ALDH1A1TAOK1TAOK3
SCHEMBL5650437 0.77 MEN1 (0.58) RAB9ANPC1CYP1A2HPGDCYP2C19
SCHEMBL31470160 0.76 KMT2A (0.71) ALDH1A1KMT2A
SCHEMBL12093453 0.75 CCR2 (0.60) RAB9ANPC1CYP1A2HPGDCYP2C19
SCHEMBL31470174 0.71 MEN1 (0.55) RAB9ASMN1; SMN2ALDH1A1HDAC1HDAC6
SCHEMBL12089930 0.71 RAB9A (0.58) RAB9ANPC1HPGDSMN1; SMN2HDAC1
SCHEMBL31470173 0.71 MEN1 (0.55) RAB9ASMN1; SMN2ALDH1A1HDAC1HDAC6
SCHEMBL520877 0.71 NPC1 (0.82) RAB9ANPC1CYP1A2HPGDCYP2C19

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