SCHEMBL5048747

SCHEMBL5048747

Cc1cccc(NCCCCC(=O)OCC#N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
HDAC1 Q13547 4/20 0.45
HDAC3 O15379 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
ALDH1A1 P00352 3/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL5044675 0.91 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL7714032 0.86 ALDH1A1 (0.56) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL9752202 0.76 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL10579788 0.74 HTT (0.53) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL19361381 0.73 ALDH1A1 (0.54) MAPTHDAC1ALDH1A1SMN1; SMN2EPHX2
SCHEMBL4864720 0.73 MAPT (0.62) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL9468482 0.73 MAPT (0.62) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL24258886 0.72 LMNA (0.47) CYP2D6MAPTHDAC4ALDH1A1GAA
SCHEMBL5044649 0.72 CTSL (0.46) MAPTHTTALDH1A1GAALMNA
SCHEMBL11954527 0.72 EPHX2 (0.58) MAPTALDH1A1GAAEPHX2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678259-B1 DISPERSE AZO DYESTUFFS DYSTAR COLOURS DISTRIB GMBH (DE) 2016-08-17 EP disclosed
US-7358345-B2 Disperse azo dyestuffs DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-04-15 US disclosed
US-20070050928-A1 Disperse azo dyestuffs DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2007-03-08 US disclosed
EP-1678259-A2 DISPERSE AZO DYESTUFFS DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2006-07-12 EP disclosed
WO-2005040283-A2 DISPERSE AZO DYESTUFFS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2005-05-06 WO disclosed