SCHEMBL9755532

SCHEMBL9755532

N#Cc1ccc(NC(=O)NC2CCCCCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 13/20 1.00
RAB9A P51151 11/20 0.66
NPC1 O15118 9/20 0.66
EPHX2 P34913 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
ALDH1A1 P00352 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
GAA P10253 1/20 0.66
TP53 P04637 1/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61

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
SCHEMBL14506148 1.00 EPHX1 (1.00) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL2752610 0.98 EPHX1 (0.97) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL13756244 0.87 EPHX1 (0.86) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL25034325 0.87 EPHX1 (0.76) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL7336127 0.86 EPHX1 (0.76) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL13756248 0.85 EPHX1 (0.83) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL15975486 0.85 EPHX1 (0.74) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL28194298 0.83 EPHX1 (0.71) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL22104127 0.83 EPHX1 (0.71) EPHX1EPHX2ALDH1A1MEN1KMT2A
SCHEMBL28194297 0.83 EPHX1 (0.71) EPHX1RAB9ANPC1EPHX2SMN1; SMN2

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-1991004962-A1 METHOD OF MAKING CARBODIIMIDES THE NUTRASWEET COMPANY (US) 1991-04-18 WO claimed
WO-1991004962-A1 METHOD OF MAKING CARBODIIMIDES THE NUTRASWEET COMPANY (US) 1991-04-18 WO disclosed