SCHEMBL6868092

SCHEMBL6868092

CC(C)S(=O)(=O)c1csc(C(=O)NC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
MCHR1 Q99705 15/20 0.40
ADRA2A P08913 12/20 0.40
HRH1 P35367 6/20 0.40
HTR2B P41595 6/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
ADRA1A P35348 3/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6868087 1.00 KDM4E (0.44) KDM4EGAAMCHR1ADRA2AHRH1
SCHEMBL6867032 0.91 MCHR1 (0.42) KDM4EMCHR1ADRA2AHRH1HTR2B
SCHEMBL6867035 0.91 MCHR1 (0.42) KDM4EMCHR1ADRA2AHRH1HTR2B
SCHEMBL13793609 0.83 MCHR1 (0.58) KDM4EGAAMCHR1ADRA2AHRH1
SCHEMBL6873894 0.82 MCHR1 (0.37) MCHR1ADRA2AHRH1HTR2BALDH1A1
SCHEMBL6873889 0.82 MCHR1 (0.37) MCHR1ADRA2AHRH1HTR2BALDH1A1
SCHEMBL6876589 0.79 KDM4E (0.46) KDM4EGAAMCHR1ADRA2AHRH1
SCHEMBL6876584 0.79 KDM4E (0.46) KDM4EGAAMCHR1ADRA2AHRH1
SCHEMBL6878632 0.79 MCHR1 (0.44) KDM4EMCHR1ADRA2AHRH1HTR2B
SCHEMBL6878628 0.79 MCHR1 (0.44) KDM4EMCHR1ADRA2AHRH1HTR2B

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