SCHEMBL12972722

SCHEMBL12972722

C=CC(=O)CCCN(CC)c1ccc(N=Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 1/20 0.38
MAPT P10636 4/20 0.38
CYP3A4 P08684 4/20 0.38
MAPK1 P28482 3/20 0.38
LMNA P02545 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.37
PTBP1 P26599 1/20 0.37
AR P10275 6/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 2/20 0.35
PGR P06401 2/20 0.35
CES2 O00748 1/20 0.35

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
SCHEMBL12990377 0.84 MAPT (0.35) MMP14MAPTMAPK1LMNAKMT2A
SCHEMBL12972567 0.83 MAPT (0.46) MAPTCYP3A4MAPK1LMNAKMT2A
SCHEMBL12972572 0.77 ALDH1A1 (0.47) MAPTCYP3A4MAPK1LMNAKMT2A
SCHEMBL12972719 0.76 MMP14 (0.40) MMP14MAPTCYP3A4MAPK1LMNA
SCHEMBL3054200 0.74 CYP3A4 (0.61) MAPTCYP3A4MAPK1LMNAKMT2A
SCHEMBL12972571 0.74 AR (0.37) CYP3A4MAPK1LMNAALDH1A1AR
SCHEMBL23084181 0.73 THRB (0.44) MAPTCYP3A4KMT2AMEN1THRB
SCHEMBL11872742 0.72 TSHR (0.48) MAPTCYP3A4MAPK1LMNAKMT2A
SCHEMBL9541856 0.70 MAPT (0.38) MMP14MAPTCYP3A4MAPK1LMNA
SCHEMBL9541852 0.70 MAPT (0.38) MMP14MAPTCYP3A4MAPK1LMNA

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
US-7854863-B2 Functional materials for use in optical systems BATTELLE MEMORIAL INSTITUTE (US) 2010-12-21 US disclosed