SCHEMBL17787265

SCHEMBL17787265

Cc1cc(N(CCC#N)Cc2ccccc2)ccc1N=Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
MMP14 P50281 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 1/20 0.39
TNNI3 P19429 1/20 0.39
TNNT2 P45379 1/20 0.39
RAB9A P51151 1/20 0.39
TNNC1 P63316 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 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
SCHEMBL17787267 0.88 CA12 (0.46) MAPTLMNASMN1; SMN2TDP1MAPK1
SCHEMBL1627083 0.85 KMT2A (0.47) MAPTLMNASMN1; SMN2TDP1MAPK1
SCHEMBL24046229 0.82 ALDH1A1 (0.34) MAPTLMNATDP1CA12CA1
SCHEMBL18179599 0.81 MAPT (0.43) MAPTLMNASMN1; SMN2TDP1MAPK1
SCHEMBL22474146 0.79 LMNA (0.39) MAPTLMNASMN1; SMN2TDP1MAPK1
SCHEMBL17787266 0.79 CA12 (0.47) MAPTLMNASMN1; SMN2TDP1MAPK1
SCHEMBL9950674 0.77 MMP14 (0.48) MAPTLMNASMN1; SMN2TDP1MAPK1
SCHEMBL112231 0.76 KMT2A (0.55) MAPTLMNASMN1; SMN2TDP1MAPK1
SCHEMBL29358253 0.76 KMT2A (0.55) MAPTLMNASMN1; SMN2TDP1MAPK1
SCHEMBL112230 0.76 KMT2A (0.55) MAPTLMNASMN1; SMN2TDP1MAPK1

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
US-RE46018-E1 Disperse azo dye mixtures DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2016-05-31 US disclosed