SCHEMBL4370933

SCHEMBL4370933

COc1cc([N+](=O)[O-])c(Cl)cc1NNc1cc(Br)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.41
RAB9A P51151 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 3/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
PKM P14618 1/20 0.36
S1PR4 O95977 1/20 0.36
OPRK1 P41145 1/20 0.36
HTT P42858 1/20 0.36
PAX8 Q06710 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
PRKDC P78527 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2310312 0.77 CYP1A2 (0.52) ALDH1A1CYP3A4HSD17B10MAPK1CYP1A2
SCHEMBL4370930 0.77 ALDH1A1 (0.43) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL19418741 0.75 ALDH1A1 (0.47) CHEK1MEN1KMT2ALMNAALDH1A1
SCHEMBL2840001 0.74 ALDH1A1 (0.49) CHEK1RAB9AMEN1KMT2ANPC1
SCHEMBL310970 0.74 CYP1A2 (0.49) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL4132806 0.74 LMNA (0.48) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL29537503 0.73 CYP1A2 (0.47) LMNAALDH1A1CYP3A4HSD17B10MAPK1
SCHEMBL3370211 0.73 CYP1A2 (0.47) LMNAALDH1A1CYP3A4HSD17B10MAPK1
SCHEMBL30109137 0.72 LMNA (0.47) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL3103536 0.72 LMNA (0.59) MEN1KMT2ALMNAALDH1A1MAPT

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-2135313-A1 HIGH PERFORMANCE, HIGH DURABILITY NON-PRECIOUS METAL FUEL CELL CATALYSTS 3M Innovative Properties Company (US) 2009-12-23 EP claimed
WO-2008127828-A1 HIGH PERFORMANCE, HIGH DURABILITY NON-PRECIOUS METAL FUEL CELL CATALYSTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-10-23 WO claimed