SCHEMBL9978221

SCHEMBL9978221

CC(C)(C(=O)NCCSc1ccc([N+](=O)[O-])cc1Cl)S(=O)(=O)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
PPARD Q03181 4/20 0.42
HSP90AA1 P07900 1/20 0.39
CXCR5 P32302 1/20 0.39
APLNR P35414 1/20 0.39
CCR6 P51684 1/20 0.39
HSD11B1 P28845 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 1/20 0.37

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
SCHEMBL9978203 0.93 CNR1 (0.45) CNR1CNR2PPARDHSP90AA1CXCR5
SCHEMBL9978202 0.87 CNR1 (0.47) CNR1CNR2PPARD
SCHEMBL9978070 0.85 CNR1 (0.48) CNR1CNR2PPARDNPC1RAB9A
SCHEMBL9978198 0.85 PPARD (0.45) CNR1CNR2PPARDPDK1PDK2
SCHEMBL9978219 0.83 PPARD (0.50) CNR1CNR2PPARDMAPTNPC1
SCHEMBL9978218 0.81 CNR1 (0.46) CNR1CNR2PPARDNPC1RAB9A
SCHEMBL9978222 0.81 CNR2 (0.50) CNR1CNR2PPARD
SCHEMBL9978215 0.80 CNR1 (0.48) CNR1CNR2PPARD
SCHEMBL9978177 0.80 PPARD (0.52) CNR1CNR2PPARDKMT2ASMN1; SMN2
SCHEMBL9978008 0.79 CNR1 (0.48) CNR1CNR2PPARD

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-2012079164-A1 ACTIVATORS OF CYLINDRICAL PROTEASES THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-06-21 WO disclosed