SCHEMBL6877612

SCHEMBL6877612

Cc1cccc(NC(=S)N[C@H]2CC[C@@H](Nc3nccc(N(C)C)n3)CC2)c1C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.55
ALOX12 P18054 2/20 0.55
LMNA P02545 1/20 0.55
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.42
CYP2C19 P33261 1/20 0.42
MCHR1 Q99705 4/20 0.41
ADRA2A P08913 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6877617 1.00 GAA (0.55) GAAALOX12LMNAALDH1A1MAPT
SCHEMBL6877574 0.90 ALDH1A1 (0.63) GAAALOX12LMNAALDH1A1POLB
SCHEMBL6877567 0.90 ALDH1A1 (0.63) GAAALOX12LMNAALDH1A1POLB
SCHEMBL6878172 0.90 ALOX12 (0.53) GAAALOX12LMNAALDH1A1MAPT
SCHEMBL6878177 0.90 ALOX12 (0.53) GAAALOX12LMNAALDH1A1MAPT
SCHEMBL6874165 0.89 MCHR1 (0.45) GAAALOX12LMNAMAPTKMT2A
SCHEMBL6874169 0.89 MCHR1 (0.45) GAAALOX12LMNAMAPTKMT2A
SCHEMBL6872864 0.87 ALDH1A1 (0.56) GAAALOX12LMNAALDH1A1MAPT
SCHEMBL6872862 0.87 ALDH1A1 (0.56) GAAALOX12LMNAALDH1A1MAPT
SCHEMBL6876682 0.87 MCHR1 (0.40) GAAALDH1A1MCHR1ADRA2AADRA1A

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