SCHEMBL9847247

SCHEMBL9847247

Cc1c(N(C)C)ccc([N+](=O)[O-])c1N

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 2/20 0.45
HTT P42858 1/20 0.45
HCAR3 P49019 1/20 0.45
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 5/20 0.41
CYP3A4 P08684 2/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
GLA P06280 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL9847380 0.86 TDP1 (0.47) MAPTALDH1A1KDM4EHTTHCAR3
SCHEMBL19700164 0.78 MAPT (0.51) MAPTALDH1A1MAPK1MEN1POLB
SCHEMBL2656793 0.77 TSHR (0.55) MAPTALDH1A1MAPK1TDP1TSHR
SCHEMBL2056814 0.77 TSHR (0.60) MAPTALDH1A1MAPK1TDP1TSHR
SCHEMBL9847284 0.76 TDP1 (0.48) MAPTALDH1A1KDM4EHTTHCAR3
SCHEMBL11077358 0.75 HCAR3 (0.56) MAPTALDH1A1KDM4EHTTHCAR3
SCHEMBL11081942 0.75 HCAR3 (0.45) MAPTALDH1A1KDM4EHTTHCAR3
SCHEMBL10781774 0.74 LMNA (0.41) MAPTALDH1A1KDM4EHTTHCAR3
SCHEMBL1193417 0.74 TDP1 (0.46) MAPTALDH1A1KDM4EMAPK1TDP1
SCHEMBL241906 0.74 ALDH1A1 (0.47) MAPTALDH1A1MAPK1TDP1TSHR

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
EP-0406888-A2 Nonlinear optical polymer composition and method for producing the same SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1991-01-09 EP disclosed