SCHEMBL6874265

SCHEMBL6874265

CCCCCCCCCCc1ccc(NC(=S)N[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
EPHX2 P34913 1/20 0.46
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 2/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TYRO3 Q06418 2/20 0.36
MERTK Q12866 2/20 0.36
GAS6 Q14393 2/20 0.36
FLT3 P36888 1/20 0.36

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
SCHEMBL6874272 1.00 EPHX1 (0.46) EPHX1EPHX2KDM4EPKMMAPT
SCHEMBL6867882 0.97 KDM4E (0.46) EPHX1EPHX2KDM4EPKMMAPT
SCHEMBL6867886 0.97 KDM4E (0.46) EPHX1EPHX2KDM4EPKMMAPT
SCHEMBL6875441 0.90 ALDH1A1 (0.45) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6875449 0.90 ALDH1A1 (0.45) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6879546 0.87 EPHX1 (0.56) EPHX1EPHX2KDM4EPKMMAPT
SCHEMBL6879538 0.87 EPHX1 (0.56) EPHX1EPHX2KDM4EPKMMAPT
SCHEMBL6879246 0.86 RAB9A (0.44) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6879250 0.86 RAB9A (0.44) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6878845 0.86 SMN1; SMN2 (0.52) MAPTNPC1RAB9ASMN1; SMN2HPGD

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