SCHEMBL1028965

SCHEMBL1028965

C[C@@H](C#N)Nc1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.43
HPGD P15428 2/20 0.41
IDO1 P14902 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
GAA P10253 4/20 0.37
HTT P42858 2/20 0.37
RAB9A P51151 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KDM4A O75164 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 3/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
CRHBP P24387 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
SCHEMBL11576066 1.00 SGMS2 (0.43) SGMS2HPGDIDO1GABRA1GABRB2
SCHEMBL9141059 0.78 ALDH1A1 (0.51) SGMS2HPGDGAAHTTRAB9A
SCHEMBL104062 0.77 IDO1 (0.59) HPGDIDO1GABRA1GABRB2GAA
SCHEMBL11578246 0.77 SGMS2 (0.43) SGMS2HPGDHTTRAB9AL3MBTL1
SCHEMBL11204634 0.76 FPR1 (0.42) HPGDGAAHTTMAPTKMT2A
SCHEMBL2204567 0.75 GABRA1 (0.43) HPGDIDO1GABRA1GABRB2GAA
SCHEMBL9141526 0.74 ALDH1A1 (0.59) SGMS2HPGDGAAHTTRAB9A
SCHEMBL7689102 0.74 SGMS2 (0.55) SGMS2GAARAB9AL3MBTL1KDM4A
SCHEMBL11575400 0.72 KEAP1 (0.42) GAAHTTRAB9AMAPTKMT2A
SCHEMBL141473 0.71 TDP1 (0.56) SGMS2GAAL3MBTL1KDM4ETDP1

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
EP-2274286-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF The Procter & Gamble Company (US) 2011-01-19 EP disclosed
WO-2009140451-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2009-11-19 WO disclosed