SCHEMBL10117540

SCHEMBL10117540

CC(C)(C)OC(=O)n1c(-c2ccc(Br)cc2)cnc1NC(=O)NCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 12/20 0.49
ROCK2 O75116 2/20 0.42
NR1H3 Q13133 2/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ROCK1 Q13464 1/20 0.41
FPR2 P25090 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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 0.87 NPC1 (0.41) NR1H2NPC1RAB9AFPR2
SCHEMBL10117537 0.85 RAB9A (0.49) NR1H2NPC1RAB9AKDM4EHDAC8
SCHEMBL10117536 0.85 MTOR (0.38) NR1H2
SCHEMBL10117510 0.82 MEN1 (0.45) NR1H2NPC1RAB9AFPR2
SCHEMBL10117881 0.81 MAPK1 (0.43) MAPT
SCHEMBL10117499 0.80 FPR2 (0.39) NR1H2NPC1RAB9AFPR2
SCHEMBL13655228 0.76 KMT2A (0.42) NR1H2NR1H3
SCHEMBL13663124 0.76 CNR2 (0.42) NR1H2NR1H3
SCHEMBL4062421 0.72 EGLN2 (0.41) NR1H2NR1H3
SCHEMBL10117534 0.71 NR1H2 (0.40) NR1H2ROCK2NR1H3MAPT

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