SCHEMBL25937443

SCHEMBL25937443

O/N=C1/CCOc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 2/20 0.44
RAD52 P43351 1/20 0.44
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43
ITGAL P20701 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NOTUM Q6P988 1/20 0.41
LMNA P02545 3/20 0.41
HSD17B10 Q99714 1/20 0.41
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
HTT P42858 1/20 0.39
NPY5R Q15761 1/20 0.39
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL803512 1.00 HPGD (0.47) HPGDL3MBTL1NPSR1RAD52ITGB2
SCHEMBL2906716 1.00 HPGD (0.47) HPGDL3MBTL1NPSR1RAD52ITGB2
SCHEMBL29495275 1.00 HPGD (0.47) HPGDL3MBTL1NPSR1RAD52ITGB2
SCHEMBL6341198 0.89 HPGD (0.53) HPGDL3MBTL1NPSR1RAD52ITGB2
SCHEMBL6341194 0.89 HPGD (0.53) HPGDL3MBTL1NPSR1RAD52ITGB2
SCHEMBL20205837 0.81 ITGB2 (0.43) L3MBTL1NPSR1ITGB2ICAM1ITGAL
SCHEMBL20457145 0.81 ITGB2 (0.43) L3MBTL1NPSR1ITGB2ICAM1ITGAL
SCHEMBL1266178 0.80 RAD52 (0.46) HPGDL3MBTL1NPSR1RAD52MEN1
SCHEMBL19368247 0.80 RAD52 (0.46) HPGDL3MBTL1NPSR1RAD52MEN1
SCHEMBL1266177 0.80 RAD52 (0.46) HPGDL3MBTL1NPSR1RAD52MEN1

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-2024163956-A2 SIGMA RECEPTOR LIGAND COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-08-08 WO disclosed
WO-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 WO disclosed