SCHEMBL6873802

SCHEMBL6873802

CCOC(=O)c1ccc(NC(=S)NC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
ALDH1A1 P00352 5/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 1/20 0.48
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 3/20 0.43
HPGD P15428 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 3/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL6873795 1.00 MAPT (0.60) MAPTKMT2AMEN1ALDH1A1NPSR1
SCHEMBL6876406 0.92 MAPT (0.49) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL6876402 0.92 MAPT (0.49) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL6875563 0.91 MEN1 (0.56) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL6875557 0.91 MEN1 (0.56) MAPTKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL6868594 0.90 MAPT (0.47) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6867093 0.88 MEN1 (0.45) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL6867086 0.88 MEN1 (0.45) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL6875449 0.88 ALDH1A1 (0.45) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL6868208 0.88 MCHR1 (0.43) MAPTKMT2AMEN1ALDH1A1POLB

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