SCHEMBL31579482

SCHEMBL31579482

O=C1CC(=O)N(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)C(=O)N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.61
KMT2A Q03164 10/20 0.61
MAPT P10636 8/20 0.61
RAB9A P51151 1/20 0.61
HSD17B10 Q99714 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
POLB P06746 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
NOTUM Q6P988 1/20 0.39

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
SCHEMBL28745022 0.77 MEN1 (0.49) MEN1KMT2AMAPTRAB9AL3MBTL1
SCHEMBL145274 0.76 MEN1 (0.68) MEN1KMT2AMAPTRAB9AHSD17B10
SCHEMBL7701199 0.76 MEN1 (1.00) MEN1KMT2AMAPTRAB9AHSD17B10
SCHEMBL6173519 0.75 AR (0.52) MEN1KMT2AMAPTRAB9AL3MBTL1
SCHEMBL24997232 0.74 POLB (0.59) MEN1KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL28744558 0.74 MEN1 (0.69) MEN1KMT2AMAPTRAB9AHSD17B10
SCHEMBL6799176 0.74 MAPT (0.68) MEN1KMT2AMAPTRAB9AHSD17B10
SCHEMBL6177616 0.72 LIPE (0.46) L3MBTL1POLBPIM1PIM2
SCHEMBL1897022 0.71 GRIA1 (0.60) CYP1A2NOTUM
SCHEMBL125195 0.71 MAPT (1.00) MEN1KMT2AMAPTRAB9AHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025104154-A1 5-[2,7-DIAZASPIRO[3.5]NONAN-7-YL]-5-[4-PHENOXYPHENYL]HEXAHYDROPYRIMIDINE-2,4,6-TRIONE DERIVATIVES AS MMP9 INHIBITORS FOR THE TREATMENT OF DRY EYE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-05-22 WO disclosed