SCHEMBL10117499

SCHEMBL10117499

CC(C)NC(=O)Nc1ncc(-c2ccc(Br)cc2)n1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.39
TTK P33981 2/20 0.39
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
BCL2 P10415 2/20 0.36
BECN1 Q14457 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 2/20 0.35
NR1H2 P55055 2/20 0.34
IDO1 P14902 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1C Q13936 1/20 0.33

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
SCHEMBL10117881 0.88 MAPK1 (0.43) KMT2ASMN1; SMN2MEN1LMNAALDH1A1
SCHEMBL10117510 0.87 MEN1 (0.45) FPR2KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL10117536 0.86 MTOR (0.38) KMT2AMEN1BCL2BECN1GAA
SCHEMBL10117508 0.84 NPC1 (0.41) FPR2KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL10117537 0.82 RAB9A (0.49) SMN1; SMN2POLBNPC1ALDH1A1HTT
SCHEMBL10117540 0.80 NR1H2 (0.49) FPR2NPC1RAB9ANR1H2
SCHEMBL10117534 0.76 NR1H2 (0.40) KMT2AMEN1MAPK1NR1H2IDO1
SCHEMBL4054860 0.74 GABRG2 (0.44) NR1H2
SCHEMBL13655228 0.74 KMT2A (0.42) KMT2ANR1H2
SCHEMBL13663124 0.74 CNR2 (0.42) KMT2ANR1H2

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-2012087976-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-06-28 WO disclosed