SCHEMBL7129131

SCHEMBL7129131

CCCCCCN(CC)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
KMT2A Q03164 5/20 0.57
RORC P51449 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
MEN1 O00255 4/20 0.57
PPARG P37231 4/20 0.57
CYP3A4 P08684 3/20 0.57
LMNA P02545 2/20 0.57
MAPK1 P28482 2/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
PKM P14618 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
CYP2C19 P33261 1/20 0.57
THPO P40225 1/20 0.57
MTOR P42345 1/20 0.57
PMP22 Q01453 1/20 0.57

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
SCHEMBL7124300 0.97 MAPT (0.55) MAPTKMT2ARORCSMN1; SMN2MEN1
SCHEMBL7125980 0.97 MAPT (0.55) MAPTKMT2ARORCSMN1; SMN2MEN1
SCHEMBL7120551 0.96 PPARG (0.55) MAPTKMT2ARORCSMN1; SMN2MEN1
SCHEMBL7130317 0.96 MAPT (0.60) MAPTKMT2ARORCSMN1; SMN2MEN1
SCHEMBL7125943 0.93 PPARG (0.56) MAPTKMT2ARORCSMN1; SMN2MEN1
SCHEMBL7130309 0.93 PPARG (0.56) MAPTKMT2ARORCSMN1; SMN2MEN1
SCHEMBL7128935 0.93 MAPT (0.59) MAPTKMT2ARORCSMN1; SMN2MEN1
SCHEMBL7132440 0.92 MAPT (0.58) MAPTKMT2ARORCSMN1; SMN2MEN1
SCHEMBL7132342 0.92 MAPT (0.58) MAPTKMT2ARORCSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7121797 0.92 PPARG (0.55) MAPTKMT2ARORCSMN1; SMN2MEN1

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