SCHEMBL9617447

SCHEMBL9617447

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.58
DTYMK P23919 1/20 0.50
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.41
CASP6 P55212 1/20 0.41
TGM2 P21980 1/20 0.40
GFER P55789 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL370684 0.87 HCAR3 (0.50) HCAR3KMT2AMEN1MAPTL3MBTL1
SCHEMBL586740 0.78 DTYMK (0.48) DTYMKKMT2AMEN1MAPTALDH1A1
SCHEMBL31665590 0.78 MAPT (0.58) HCAR3DTYMKKMT2AMEN1MAPT
SCHEMBL9617455 0.78 TDP1 (0.50) HCAR3KMT2AMEN1MAPTL3MBTL1
SCHEMBL11130464 0.77 HCAR3 (0.58) HCAR3DTYMKMAPTL3MBTL1ALDH1A1
SCHEMBL16737185 0.76 HCAR3 (0.53) HCAR3KMT2AMEN1MAPTL3MBTL1
SCHEMBL7350353 0.76 KMT2A (0.49) HCAR3KMT2AMEN1MAPTALDH1A1
SCHEMBL9618348 0.76 HCAR3 (0.57) HCAR3DTYMKKMT2AMEN1MAPT
SCHEMBL890785 0.75 HTT (0.60) DTYMKKMT2AMEN1MAPTL3MBTL1
SCHEMBL29833583 0.75 HTT (0.60) DTYMKKMT2AMEN1MAPTL3MBTL1

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-4241331-A None JP disclosed
JP-H04241331-A ORGANIC NONLINEAR OPTICAL MATERIAL AND ORGANIC NONLINEAR OPTICAL THIN FILM ELEMENT USING SAME OKI ELECTRIC IND CO LTD 1992-08-28 JP disclosed