SCHEMBL6869121

SCHEMBL6869121

CCOC(=O)c1cccc(NC(=S)NC2CCC(Nc3cc(N(C)C)c4ccccc4n3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
TP53 P04637 4/20 0.48
MAPK1 P28482 4/20 0.45
LMNA P02545 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
ABCB1 P08183 1/20 0.44
HTT P42858 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
THRB P10828 1/20 0.43
NPY2R P49146 1/20 0.43
ADRA2A P08913 2/20 0.42
MCHR1 Q99705 2/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 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
SCHEMBL6869115 1.00 MAPT (0.48) MAPTTP53MAPK1LMNAALDH1A1
SCHEMBL6879063 0.92 GSK3B (0.49) MAPTTP53MAPK1LMNAALDH1A1
SCHEMBL6879057 0.92 GSK3B (0.49) MAPTTP53MAPK1LMNAALDH1A1
SCHEMBL6872848 0.92 NPC1 (0.46) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL6872842 0.92 NPC1 (0.46) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL4040823 0.86 MCHR1 (0.61) MAPTTP53MAPK1LMNAALDH1A1
SCHEMBL5530177 0.86 MCHR1 (0.61) MAPTTP53MAPK1LMNAALDH1A1
SCHEMBL6463465 0.81 MCHR1 (0.44) TP53LMNASMN1; SMN2HTTADRA2A
SCHEMBL6463450 0.81 MCHR1 (0.44) TP53LMNASMN1; SMN2HTTADRA2A
SCHEMBL6878768 0.79 ALDH1A1 (0.45) MAPTTP53MAPK1LMNAALDH1A1

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