SCHEMBL6867882

SCHEMBL6867882

CCCCc1ccc(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
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
EPHX1 P07099 1/20 0.42
EPHX2 P34913 1/20 0.42
SMN1; SMN2 Q16637 6/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 7/20 0.39
LMNA P02545 6/20 0.39
ALDH1A1 P00352 6/20 0.39
FLT3 P36888 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
GAS6 Q14393 1/20 0.38
ALOX12 P18054 2/20 0.38
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 2/20 0.37

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
SCHEMBL6867886 1.00 KDM4E (0.46) KDM4EPKMEPHX1EPHX2SMN1; SMN2
SCHEMBL6874265 0.97 EPHX1 (0.46) KDM4EPKMEPHX1EPHX2SMN1; SMN2
SCHEMBL6874272 0.97 EPHX1 (0.46) KDM4EPKMEPHX1EPHX2SMN1; SMN2
SCHEMBL6875441 0.91 ALDH1A1 (0.45) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL6875449 0.91 ALDH1A1 (0.45) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL6879546 0.89 EPHX1 (0.56) KDM4EPKMEPHX1EPHX2SMN1; SMN2
SCHEMBL6879538 0.89 EPHX1 (0.56) KDM4EPKMEPHX1EPHX2SMN1; SMN2
SCHEMBL6872854 0.88 MEN1 (0.35) KDM4EPKMKMT2AMEN1
SCHEMBL6879246 0.87 RAB9A (0.44) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6879250 0.87 RAB9A (0.44) KDM4ESMN1; SMN2NPC1RAB9AMAPT

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