SCHEMBL12972719

SCHEMBL12972719

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
AR P10275 6/20 0.39
CYP3A4 P08684 4/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
PGR P06401 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CES2 O00748 1/20 0.39
ABCB11 O95342 1/20 0.39
GLA P06280 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
ALOX15 P16050 1/20 0.39
TBXA2R P21731 1/20 0.39

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
SCHEMBL12972567 0.83 MAPT (0.46) SIRT6ARCYP3A4LMNASMN1; SMN2
SCHEMBL12972572 0.80 ALDH1A1 (0.47) SIRT6ARCYP3A4LMNASMN1; SMN2
SCHEMBL7569166 0.78 AR (0.45) SIRT6ARCYP3A4LMNASMN1; SMN2
SCHEMBL12972551 0.78 AR (0.45) SIRT6ARCYP3A4LMNASMN1; SMN2
SCHEMBL16997062 0.78 MMP14 (0.41) MMP14SMN1; SMN2MAPK1ALDH1A1GLA
SCHEMBL16997057 0.77 MMP14 (0.39) MMP14ARLMNASMN1; SMN2MAPK1
SCHEMBL12972722 0.76 MMP14 (0.38) MMP14ARCYP3A4LMNASMN1; SMN2
SCHEMBL17787279 0.76 MMP14 (0.63) MMP14CYP3A4LMNASMN1; SMN2TSHR
SCHEMBL14063276 0.76 MMP14 (0.63) MMP14CYP3A4LMNASMN1; SMN2TSHR
SCHEMBL5452124 0.74 MAPT (0.60) SIRT6ARCYP3A4LMNASMN1; SMN2

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