SCHEMBL27673167

SCHEMBL27673167

CCc1cc(C#N)cc(O)c1N

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
TTR P02766 2/20 0.39
ALB P02768 2/20 0.39
AR P10275 1/20 0.38
PTPN11 Q06124 1/20 0.36
CYP2A6 P11509 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 2/20 0.35
BACE1 P56817 1/20 0.33
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
GPR35 Q9HC97 1/20 0.32
MAPK8 P45983 1/20 0.31
XDH P47989 1/20 0.31
USP7 Q93009 3/20 0.31

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
SCHEMBL7928482 0.86 HTT (0.46) HTTALDH1A1MAPTTTRALB
SCHEMBL27646957 0.81 ALOX15 (0.41) HTTALDH1A1MAPTARMEN1
SCHEMBL1175919 0.79 ALDH1A1 (0.57) HTTALDH1A1MAPTTTRALB
SCHEMBL15173739 0.78 HTT (0.40) HTTALDH1A1MAPTTTRALB
SCHEMBL7821894 0.77 GABRP (0.42) HTTALDH1A1MAPTGPR35XDH
SCHEMBL22014711 0.75 HTT (0.38) HTTALDH1A1MAPTCYP2A6POLB
SCHEMBL21766320 0.74 TTR (0.41) HTTALDH1A1TTRALBPTPN11
SCHEMBL28505038 0.74 PTPN1 (0.44) HTTPTPN11MEN1KMT2APOLB
SCHEMBL4990291 0.74 KDM4E (0.43) HTTALDH1A1MAPTPOLBALOX15
SCHEMBL2154258 0.73 CYP2A6 (0.44) HTTALDH1A1MAPTTTRALB

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
CN-102137653-B Powdered hair colouring and bleaching compositions PROCTER & GAMBLE 2014-09-10 CN disclosed
CN-103589530-A Delivery particles PROCTER & GAMBLE 2014-02-19 CN disclosed
CN-102858940-A Delivery particles PROCTER & GAMBLE 2013-01-02 CN disclosed
CN-102137653-A Powdered hair colouring and bleaching compositions PROCTER & GAMBLE 2011-07-27 CN disclosed
CN-1937994-A Keratin dyeing compounds, keratin dyeing compositions containing them and their use PROCTER & GAMBLE (US) 2007-03-28 CN disclosed
CN-1937995-A Keratin dyeing compositions comprising bicyclic 5-6 heteroaromatic dyeing compounds containing a ring-connected nitrogen atom PROCTER & GAMBLE (US) 2007-03-28 CN disclosed