SCHEMBL9617455

SCHEMBL9617455

C=CCNc1ccc([N+](=O)[O-])c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 6/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HCAR3 P49019 1/20 0.48
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ATM Q13315 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
HTR6 P50406 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL15221111 0.81 MAPT (0.54) TDP1TSHRMAPTKMT2AMEN1
SCHEMBL6440712 0.79 MAPT (0.60) TDP1TSHRMAPTKMT2ALMNA
SCHEMBL8723933 0.78 TSHR (0.50) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL14906663 0.78 ALDH1A1 (0.52) TDP1TSHRMAPTKMT2AMEN1
SCHEMBL8522212 0.78 MAPT (0.45) TDP1MAPTKMT2AMEN1L3MBTL1
SCHEMBL9617447 0.78 HCAR3 (0.58) TDP1MAPTKMT2AMEN1L3MBTL1
SCHEMBL14979009 0.77 KAT2B (0.55) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL370684 0.77 HCAR3 (0.50) TDP1MAPTKMT2AMEN1L3MBTL1
SCHEMBL12287011 0.76 TDP1 (0.60) TDP1TSHRMAPTKMT2AMEN1
SCHEMBL17291828 0.76 MAPT (0.46) TDP1MAPTKMT2AMEN1L3MBTL1

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-4241330-A None JP disclosed
JP-H04241330-A ORGANIC NONLINEAR OPTICAL MATERIAL AND ORGANIC NONLINEAR OPTICAL THIN FILM ELEMENT USING SAME OKI ELECTRIC IND CO LTD 1992-08-28 JP disclosed