SCHEMBL2035271

SCHEMBL2035271

CCN(CC(C)C(=O)OC#N)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NOX1 Q9Y5S8 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ NPY1R P25929 1/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ CNR2 P34972 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ SCN1A P35498 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
SCHEMBL2069440 0.78 MEN1 (0.40) MEN1KMT2ANPC1RAB9ANOX1
Acetic Acid SCHEMBL27763789 0.76 MEN1 (0.38) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL2035268 0.75 KMT2A (0.42) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL27746615 0.74 SCN1A (0.33) KMT2AL3MBTL1SCN1ASCN2ASCN3A
SCHEMBL11704962 0.72 TSHR (0.47) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL11826491 0.71 SCN1A (0.44) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL28681719 0.71 TSHR (0.48) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL14000141 0.70 TSHR (0.52) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL9857416 0.70 TSHR (0.52) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL11833911 0.70 SCN1A (0.43) MEN1KMT2ANPC1RAB9ANOX1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516728-B1 DISPERSE DYES COLOURTEX INDUSTRIES LTD (IN) 2020-05-27 — — EP disclosed
CN-102782211-B disperse dyes COLOURTEX INDUSTRIES LTD. (IN) 2016-01-20 — — CN disclosed
US-8506652-B2 Disperse dyes COLOURTEX INDUSTRIES LIMITED (IN) 2013-08-13 — — US disclosed
US-20130117947-A1 DISPERSE DYES COLOURTEX INDUSTRIES LIMITED (IN) 2013-05-16 — — US disclosed
EP-2516728-A2 DISPERSE DYES Colourtex Industries Limited (IN) 2012-10-31 — — EP disclosed
WO-2011077462-A2 DISPERSE DYES COLOURTEX INDUSTRIES LIMITED (IN) 2011-06-30 — — WO disclosed
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