SCHEMBL31470159

SCHEMBL31470159

[C-]#[N+]c1ccc(C(=O)OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
NPY1R P25929 1/20 0.58
NPY2R P49146 1/20 0.58
KDM4E B2RXH2 2/20 0.51
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
MAPT P10636 5/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 3/20 0.47
GAA P10253 2/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL31470192 0.92 KDM4E (0.55) ALDH1A1NPY1RNPY2RKDM4EKMT2A
SCHEMBL31470167 0.85 MEN1 (0.71) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL31470154 0.82 KLK7 (0.54) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL31470161 0.81 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL31470180 0.78 L3MBTL1 (0.61) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL31470152 0.78 MEN1 (0.69) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL10996044 0.78 ALDH1A1 (0.63) ALDH1A1NPY1RNPY2RKDM4EKMT2A
SCHEMBL31470181 0.78 ALDH1A1 (0.57) ALDH1A1NPY1RNPY2RKDM4EKMT2A
SCHEMBL31470150 0.78 KMT2A (0.65) ALDH1A1NPY1RNPY2RKDM4EKMT2A
SCHEMBL31470183 0.78 SMN1; SMN2 (0.59) ALDH1A1NPY1RNPY2RKMT2AMEN1

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