SCHEMBL31399682

SCHEMBL31399682

Cc1cc2c(Br)cccc2c(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.41
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CRHR1 P34998 3/20 0.36
CYP1A2 P05177 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35
HTT P42858 1/20 0.35
BACE1 P56817 1/20 0.34
NCF1 P14598 1/20 0.34

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
SCHEMBL15366499 1.00 NR4A2 (0.41) NR4A2MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL30225279 0.81 ENPP3 (0.37) MAPTALDH1A1CYP1A2ENPP3ENPP1
SCHEMBL29122464 0.81 NR4A2 (0.51) NR4A2MAPTL3MBTL1CRHR1CYP1A2
SCHEMBL12416620 0.81 MAPT (0.42) NR4A2MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL166004 0.81 ENPP3 (0.37) MAPTALDH1A1CYP1A2ENPP3ENPP1
SCHEMBL30676607 0.81 NR4A2 (0.51) NR4A2MAPTL3MBTL1CRHR1CYP1A2
SCHEMBL12477640 0.81 CYP1A2 (0.46) NR4A2MAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL17249892 0.75 EDNRA (0.42) NR4A2MAPTGAAL3MBTL1CRHR1
SCHEMBL2192108 0.75 ALDH1A1 (0.42) MAPTSMN1; SMN2ALDH1A1GAACRHR1
SCHEMBL2172222 0.74 ALDH1A1 (0.42) NR4A2MAPTSMN1; SMN2ALDH1A1GAA

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
EP-4739672-A1 NEW COMPOUNDS Aston University (GB) 2026-05-13 EP disclosed
WO-2025008626-A1 NEW COMPOUNDS ASTON UNIVERSITY (GB) 2025-01-09 WO disclosed