SCHEMBL6879357

SCHEMBL6879357

Cc1cc(C)c(NC(=S)N[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
MCHR1 Q99705 2/20 0.43
ADRA2A P08913 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL6879363 1.00 SMN1; SMN2 (0.46) SMN1; SMN2KDM4ELMNAMCHR1ADRA2A
SCHEMBL6877176 0.91 TP53 (0.47) SMN1; SMN2KDM4ELMNAMCHR1ADRA2A
SCHEMBL6877168 0.91 TP53 (0.47) SMN1; SMN2KDM4ELMNAMCHR1ADRA2A
SCHEMBL6877615 0.90 GAA (0.51) SMN1; SMN2KDM4ELMNAMCHR1ADRA2A
SCHEMBL6877624 0.90 GAA (0.51) SMN1; SMN2KDM4ELMNAMCHR1ADRA2A
SCHEMBL6877266 0.89 SMN1; SMN2 (0.44) SMN1; SMN2KDM4ELMNAMCHR1ADRA2A
SCHEMBL6458568 0.89 SMN1; SMN2 (0.43) SMN1; SMN2KDM4ELMNAMCHR1ADRA2A
SCHEMBL6873091 0.89 KDM4E (0.43) SMN1; SMN2KDM4ELMNAMCHR1ADRA2A
SCHEMBL6877259 0.89 SMN1; SMN2 (0.44) SMN1; SMN2KDM4ELMNAMCHR1ADRA2A
SCHEMBL6873096 0.89 KDM4E (0.43) SMN1; SMN2KDM4ELMNAMCHR1ADRA2A

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