SCHEMBL10117508

SCHEMBL10117508

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
IDO1 P14902 4/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FPR2 P25090 1/20 0.36
NR1H2 P55055 5/20 0.36
BCL2 P10415 1/20 0.35
BECN1 Q14457 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
SCHEMBL10117537 0.94 RAB9A (0.49) NPC1RAB9ASMN1; SMN2IDO1GAA
SCHEMBL10117536 0.92 MTOR (0.38) IDO1GAAMEN1KMT2ANR1H2
SCHEMBL10117540 0.87 NR1H2 (0.49) NPC1RAB9AFPR2NR1H2
SCHEMBL10117510 0.86 MEN1 (0.45) NPC1RAB9ASMN1; SMN2IDO1GAA
SCHEMBL10117499 0.84 FPR2 (0.39) NPC1RAB9ASMN1; SMN2IDO1GAA
SCHEMBL10117881 0.79 MAPK1 (0.43) SMN1; SMN2MEN1KMT2A
SCHEMBL10117534 0.75 NR1H2 (0.40) IDO1MEN1KMT2ANR1H2
SCHEMBL4054860 0.73 GABRG2 (0.44) NR1H2
SCHEMBL13655228 0.73 KMT2A (0.42) KMT2ANR1H2
SCHEMBL13663124 0.73 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