SCHEMBL31470166

SCHEMBL31470166

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

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.69
GAA P10253 1/20 0.56
LMNA P02545 4/20 0.53
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK1 P28482 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL31470201 0.80 GAA (0.63) TSHRGAALMNAHPGDSMN1; SMN2
SCHEMBL31470200 0.77 NPC1 (0.52) GAALMNAHPGDCYP1A2CYP2C19
SCHEMBL31470192 0.76 KDM4E (0.55) TSHRGAALMNASMN1; SMN2ALDH1A1
SCHEMBL31470171 0.76 RXFP1 (0.58) GAALMNAALDH1A1CYP1A2CYP2C19
SCHEMBL31470154 0.75 KLK7 (0.54) HPGDSMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL31470183 0.75 SMN1; SMN2 (0.59) GAALMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL3445968 0.75 CA1 (0.61) TSHRLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL31470160 0.74 KMT2A (0.71) ALDH1A1MEN1KMT2AL3MBTL1POLB
SCHEMBL31470177 0.74 HPGD (0.70) TSHRGAALMNAHPGDSMN1; SMN2
SCHEMBL31470167 0.74 MEN1 (0.71) TSHRLMNAHPGDSMN1; SMN2ALDH1A1

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