SCHEMBL6879546

SCHEMBL6879546

CCCCc1ccc(NC(=O)NC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.56
EPHX2 P34913 2/20 0.56
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
TP53 P04637 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TYRO3 Q06418 2/20 0.42
MERTK Q12866 2/20 0.42
GAS6 Q14393 2/20 0.42
FLT3 P36888 1/20 0.42
MAPT P10636 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ADRA2A P08913 3/20 0.38
HRH1 P35367 3/20 0.38

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
SCHEMBL6879538 1.00 EPHX1 (0.56) EPHX1EPHX2NPC1RAB9ATP53
SCHEMBL6879296 0.91 NPC1 (0.55) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL6879303 0.91 NPC1 (0.55) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL6876167 0.90 NPC1 (0.47) EPHX1EPHX2NPC1RAB9ATP53
SCHEMBL6876164 0.90 NPC1 (0.47) EPHX1EPHX2NPC1RAB9ATP53
SCHEMBL6867882 0.89 KDM4E (0.46) EPHX1EPHX2NPC1RAB9ATP53
SCHEMBL6867886 0.89 KDM4E (0.46) EPHX1EPHX2NPC1RAB9ATP53
SCHEMBL6876601 0.88 EPHX2 (0.46) EPHX1EPHX2NPC1RAB9ATP53
SCHEMBL6878079 0.88 EPHX2 (0.41) EPHX1EPHX2TYRO3MERTKGAS6
SCHEMBL6876610 0.88 EPHX2 (0.46) EPHX1EPHX2NPC1RAB9ATP53

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
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed