SCHEMBL7129165

SCHEMBL7129165

COC(=O)c1nccnc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
CYP3A4 P08684 2/20 0.59
MAPK1 P28482 2/20 0.59
PPARG P37231 2/20 0.59
ALOX15 P16050 1/20 0.59
PPARA Q07869 1/20 0.59
HTT P42858 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
RORC P51449 9/20 0.56
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
PKM P14618 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL7124282 0.80 RORC (0.62) SMN1; SMN2CYP3A4MAPK1PPARGALOX15
SCHEMBL7123389 0.80 RORC (0.61) SMN1; SMN2CYP3A4MAPK1PPARGALOX15
SCHEMBL7129183 0.79 SMN1; SMN2 (0.69) SMN1; SMN2CYP3A4MAPK1PPARGALOX15
SCHEMBL422653 0.79 GAA (0.64) SMN1; SMN2CYP3A4MAPK1PPARGALOX15
SCHEMBL15547417 0.78 SMN1; SMN2 (0.68) SMN1; SMN2CYP3A4MAPK1PPARGALOX15
SCHEMBL27589554 0.77 RORC (0.62) SMN1; SMN2CYP3A4MAPK1PPARGALOX15
SCHEMBL7121694 0.76 RORC (0.69) SMN1; SMN2CYP3A4MAPK1PPARGALOX15
SCHEMBL18146933 0.76 RORC (0.61) SMN1; SMN2CYP3A4MAPK1PPARGALOX15
SCHEMBL7127143 0.75 SMN1; SMN2 (0.66) SMN1; SMN2CYP3A4MAPK1PPARGALOX15
SCHEMBL7130573 0.75 MEN1 (0.71) SMN1; SMN2CYP3A4MAPK1PPARGALOX15

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
CN-1440383-A PPAR gamma modulators SANKYO CO (JP) 2003-09-03 CN disclosed
EP-1277729-A1 PPAR (GAMMA) MODULATORS Sankyo Company, Limited (JP) 2003-01-22 EP disclosed