SCHEMBL2373101

SCHEMBL2373101

COC(=O)c1c(C)c(-c2cccc(Cl)c2)nc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.69
KDM4E B2RXH2 4/20 0.69
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
DHODH Q02127 6/20 0.58
HTT P42858 2/20 0.57
PDE10A Q9Y233 2/20 0.56
TSHR P16473 1/20 0.56
ALDH1A1 P00352 1/20 0.56
PLA2G2A P14555 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.52
TACR3 P29371 1/20 0.51
LMNA P02545 1/20 0.50
PTGFR P43088 1/20 0.49

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
SCHEMBL2373562 0.88 PDE10A (0.74) MAPTKDM4EKMT2ADHODHHTT
SCHEMBL2372674 0.87 PDE10A (0.73) MAPTKDM4EKMT2AMEN1DHODH
SCHEMBL4879045 0.86 DHODH (0.71) MAPTKDM4EKMT2AMEN1DHODH
SCHEMBL2373281 0.85 KDM4E (0.55) MAPTKDM4EKMT2AMEN1DHODH
SCHEMBL2373011 0.83 DHODH (0.58) MAPTKDM4EKMT2AMEN1DHODH
SCHEMBL2373092 0.79 KDM4E (0.56) MAPTKDM4EKMT2AMEN1DHODH
SCHEMBL29387699 0.79 MAPT (0.61) MAPTKDM4EKMT2AMEN1DHODH
SCHEMBL2373435 0.79 DHODH (0.57) MAPTKDM4EDHODHHTTPLA2G2A
SCHEMBL17413271 0.79 MAPT (0.52) MAPTKDM4EKMT2AMEN1DHODH
SCHEMBL5945348 0.77 DHODH (0.63) MAPTKDM4EDHODHPDE10ATSHR

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
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed