SCHEMBL31470184

SCHEMBL31470184

[C-]#[N+]c1ccc(C(=O)OCC(=O)Nc2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.64
KMT2A Q03164 6/20 0.60
MEN1 O00255 5/20 0.60
MAPT P10636 8/20 0.57
GAA P10253 2/20 0.57
CYP2C19 P33261 3/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
ALDH1A1 P00352 2/20 0.56
RAB9A P51151 1/20 0.53
NTRK1 P04629 1/20 0.53
NTRK2 Q16620 1/20 0.53
HTT P42858 1/20 0.53
CYP1A2 P05177 2/20 0.51
RECQL P46063 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TSHR P16473 1/20 0.49

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
SCHEMBL31470154 0.84 KLK7 (0.54) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL31470186 0.80 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AMEN1MAPTGAA
SCHEMBL31470167 0.79 MEN1 (0.71) SMN1; SMN2KMT2AMEN1MAPTCYP2C19
SCHEMBL31470192 0.79 KDM4E (0.55) SMN1; SMN2KMT2AMEN1MAPTGAA
SCHEMBL31470152 0.78 MEN1 (0.69) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL31470180 0.78 L3MBTL1 (0.61) SMN1; SMN2KMT2AMEN1MAPTGAA
SCHEMBL31470159 0.77 ALDH1A1 (0.58) SMN1; SMN2KMT2AMEN1MAPTGAA
SCHEMBL31470161 0.76 ALDH1A1 (0.50) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL28099565 0.75 SMN1; SMN2 (0.75) SMN1; SMN2KMT2AMAPTCYP2C19CYP2C9
SCHEMBL31470171 0.73 RXFP1 (0.58) KMT2AMEN1MAPTGAACYP2C19

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