SCHEMBL6068898

SCHEMBL6068898

COCC(C)NC(=O)c1ccc(C(N)=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.68
RAB9A P51151 3/20 0.68
ALDH1A1 P00352 3/20 0.68
HTT P42858 1/20 0.68
NAMPT P43490 7/20 0.53
POLB P06746 1/20 0.51
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 1/20 0.46

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
SCHEMBL13753673 0.83 HPGD (0.68) HPGDRAB9AALDH1A1HTTNAMPT
SCHEMBL15489278 0.82 HPGD (0.66) HPGDRAB9AALDH1A1HTTNAMPT
SCHEMBL1018356 0.81 HDAC4 (0.52) HPGDRAB9AALDH1A1HTTMEN1
SCHEMBL13753672 0.81 HPGD (0.65) HPGDRAB9AALDH1A1HTTNAMPT
SCHEMBL2976653 0.81 MLYCD (0.59) HPGDALDH1A1MEN1KMT2ALMNA
SCHEMBL3033950 0.81 HPGD (0.64) HPGDRAB9AALDH1A1HTTNAMPT
SCHEMBL18403112 0.79 HPGD (0.58) HPGDRAB9AALDH1A1HTTNAMPT
SCHEMBL2317132 0.78 HPGD (0.66) HPGDRAB9AALDH1A1HTTMEN1
SCHEMBL14864017 0.78 HPGD (0.60) HPGDRAB9AALDH1A1HTTNAMPT
SCHEMBL4496787 0.78 HDAC1 (0.61) HPGDRAB9AALDH1A1HTTNAMPT

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-7071219-B2 Mono-acylated o-phenylendiamines derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed