SCHEMBL4440762

SCHEMBL4440762

CC1(C)C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccnc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 11/20 0.69
AR P10275 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TACR1 P25103 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
TAS2R8 Q9NYW2 1/20 0.39
SCN2A Q99250 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL4442069 0.86 IGF1R (0.70) IGF1RARTAS2R8
SCHEMBL4885816 0.84 IGF1R (0.71) IGF1RARTAS2R8
SCHEMBL4888678 0.84 IGF1R (0.68) IGF1RARTAS2R8
SCHEMBL13039185 0.83 IGF1R (0.72) IGF1RARTAS2R8
SCHEMBL2932223 0.82 IGF1R (1.00) IGF1RAR
SCHEMBL4888189 0.82 IGF1R (0.67) IGF1RAR
SCHEMBL2936903 0.81 IGF1R (0.72) IGF1RCYP3A4
Hydrochloric Acid SCHEMBL4890204 0.81 IGF1R (0.66) IGF1RAR
SCHEMBL2938760 0.81 IGF1R (0.72) IGF1R
SCHEMBL4891058 0.81 IGF1R (0.66) IGF1RAR

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-2114874-A2 METHOD FOR PREPARING FLUORINATED SULPHANYLAMIDES AND SULPHINAMIDINES AND USES THEREOF Aventis Pharma S.A. (FR) 2009-11-11 EP disclosed
WO-2008110698-A2 METHOD FOR PREPARING FLUORINATED SULPHANYLAMIDES AND SULPHINAMIDINES AND USES THEREOF AVENTIS PHARMA S.A. (FR) 2008-09-18 WO disclosed