SCHEMBL8522212

SCHEMBL8522212

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HCAR3 P49019 1/20 0.45
VCAM1 P19320 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRIA1 P42261 2/20 0.39
GRIA2 P42262 2/20 0.39
GRIA3 P42263 2/20 0.39
GRIA4 P48058 2/20 0.39
GRM6 O15303 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 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

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
SCHEMBL9586447 0.82 MAPT (0.50) MAPTMEN1KMT2AL3MBTL1HCAR3
SCHEMBL8439729 0.80 RAB9A (0.54) MAPTKMT2AVCAM1ALDH1A1SMN1; SMN2
SCHEMBL9799360 0.80 HCAR3 (0.43) MAPTMEN1KMT2AL3MBTL1HCAR3
SCHEMBL9798733 0.78 MAPT (0.49) MAPTMEN1KMT2AL3MBTL1HCAR3
SCHEMBL9617455 0.78 TDP1 (0.50) MAPTMEN1KMT2AL3MBTL1HCAR3
SCHEMBL5278995 0.78 SMN1; SMN2 (0.48) MAPTKMT2AVCAM1ALDH1A1SMN1; SMN2
SCHEMBL9587808 0.77 VCAM1 (0.46) MAPTMEN1KMT2AL3MBTL1VCAM1
SCHEMBL9798797 0.77 HCAR3 (0.46) MAPTMEN1KMT2AL3MBTL1HCAR3
SCHEMBL8521591 0.76 CA12 (0.42) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL9798470 0.76 HCAR3 (0.45) MAPTMEN1KMT2AL3MBTL1HCAR3

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
US-5865856-A MIXTURE CONTAINING COUPLER AND DEVELOPER WELLA AKTIENGESELLSCHAFT (DE) 1999-02-02 US disclosed
EP-0797980-A1 Oxidation hair dye composition comprising a 2,5-diaminobenzonitrile as well as 2,5-diaminobenzonitrile compounds Wella Aktiengesellschaft (DE) 1997-10-01 EP disclosed