SCHEMBL10429545

SCHEMBL10429545

C=CC(N)c1ccc2cc([N+](=O)[O-])ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 3/20 0.38
TSHR P16473 3/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
NOS1 P29475 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.36
MAOB P27338 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PTPRC P08575 1/20 0.35
S100A4 P26447 1/20 0.35
ERN1 O75460 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 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
SCHEMBL9300709 0.83 ALDH1A1 (0.47) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL9300488 0.81 TSHR (0.52) TDP1ALDH1A1TSHRLMNAMAPT
SCHEMBL28122579 0.75 TSHR (0.59) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL9398155 0.75 PLAU (0.44) TDP1ALDH1A1GAALMNAMAPT
SCHEMBL9398152 0.75 PLAU (0.44) TDP1ALDH1A1GAALMNAMAPT
SCHEMBL15267177 0.75 MAPT (0.46) TDP1ALDH1A1CYP3A4TSHRLMNA
SCHEMBL3259841 0.74 UGT2B7 (0.47) TDP1ALDH1A1CYP3A4MAPTKMT2A
SCHEMBL1252603 0.73 TDP1 (0.51) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL23597737 0.73 CYP3A4 (0.42) TDP1ALDH1A1CYP3A4MAPTKMT2A
SCHEMBL23597735 0.73 CYP3A4 (0.42) TDP1ALDH1A1CYP3A4MAPTKMT2A

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
JP-2066523-A None JP disclosed
JP-H0266523-A ORGANIC NONLINEAR OPTICAL THIN FILM ELEMENT OKI ELECTRIC IND CO LTD 1990-03-06 JP disclosed