SCHEMBL10117536

SCHEMBL10117536

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.38
IDO1 P14902 4/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PIK3CA P42336 1/20 0.36
NR1H2 P55055 3/20 0.36
BCL2 P10415 1/20 0.36
BECN1 Q14457 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 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
SCHEMBL10117508 0.92 NPC1 (0.41) IDO1GAAMEN1KMT2ANR1H2
SCHEMBL10117537 0.90 RAB9A (0.49) IDO1GAANR1H2
SCHEMBL10117510 0.88 MEN1 (0.45) IDO1GAAMEN1KMT2ANR1H2
SCHEMBL10117499 0.86 FPR2 (0.39) IDO1GAAMEN1KMT2ANR1H2
SCHEMBL10117540 0.85 NR1H2 (0.49) NR1H2
SCHEMBL10117881 0.81 MAPK1 (0.43) MEN1KMT2A
SCHEMBL10117534 0.77 NR1H2 (0.40) IDO1MEN1KMT2ANR1H2
SCHEMBL4054860 0.75 GABRG2 (0.44) NR1H2
SCHEMBL13655228 0.75 KMT2A (0.42) KMT2ANR1H2
SCHEMBL13663124 0.75 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