SCHEMBL6869028

SCHEMBL6869028

CN(C)c1nc(NC2CCC(NC(=S)NCCc3ccc(Cl)cc3)CC2)nc2c1CCCC2

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
LMNA P02545 4/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MEN1 O00255 2/20 0.55
MCHR1 Q99705 6/20 0.46
ADRA2A P08913 5/20 0.46
HRH1 P35367 3/20 0.46
HTR2B P41595 3/20 0.46
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALOX12 P18054 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ADRA1A P35348 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
SCHEMBL6869024 1.00 KMT2A (0.58) KMT2ALMNANPC1RAB9AMEN1
SCHEMBL6868863 0.92 KMT2A (0.56) KMT2ALMNANPC1RAB9AMEN1
SCHEMBL6880458 0.92 KMT2A (0.46) KMT2ALMNANPC1RAB9AMEN1
SCHEMBL6868868 0.92 KMT2A (0.56) KMT2ALMNANPC1RAB9AMEN1
SCHEMBL6875979 0.91 LMNA (0.54) KMT2ALMNANPC1RAB9AMEN1
SCHEMBL6875974 0.91 LMNA (0.54) KMT2ALMNANPC1RAB9AMEN1
SCHEMBL7043216 0.86 KMT2A (0.54) KMT2ALMNANPC1RAB9AMEN1
SCHEMBL7043217 0.86 KMT2A (0.54) KMT2ALMNANPC1RAB9AMEN1
SCHEMBL6866433 0.86 KMT2A (0.51) KMT2ALMNANPC1RAB9AMEN1
SCHEMBL6866436 0.86 KMT2A (0.51) KMT2ALMNANPC1RAB9AMEN1

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