SCHEMBL14976802

SCHEMBL14976802

COc1cc(C)ccc1C(=O)NC(C)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
POLB P06746 1/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
ROCK2 O75116 3/20 0.49
ROCK1 Q13464 3/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TP53 P04637 1/20 0.48
GLA P06280 1/20 0.48
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
GAA P10253 1/20 0.47
CNR2 P34972 1/20 0.47
PSMB5 P28074 2/20 0.47

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
SCHEMBL4758150 0.88 HPGD (0.63) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL4758147 0.88 HPGD (0.63) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL14977076 0.82 MEN1 (0.52) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL10144825 0.77 MAPK1 (0.67) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL14397665 0.76 KMT2A (0.60) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL24862898 0.76 NPC1 (0.63) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL5325179 0.75 NR1H4 (0.55) MEN1KMT2AALDH1A1ADRB1ADRB3
SCHEMBL5326665 0.75 NR1H4 (0.55) MEN1KMT2AALDH1A1ADRB1ADRB3
SCHEMBL5324896 0.75 NR1H4 (0.55) MEN1KMT2AALDH1A1ADRB1ADRB3
SCHEMBL14976803 0.75 KCNA3 (0.60) POLBNPC1RAB9AHPGDALDH1A1

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
WO-2013075173-A1 COMPOUNDS FOR THE TREATMENT OF HCV BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-05-30 WO disclosed