SCHEMBL6868231

SCHEMBL6868231

COc1ccc(NC(=S)NC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.42
ALOX12 P18054 4/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 2/20 0.42
ADRA2A P08913 1/20 0.42
MCHR1 Q99705 1/20 0.42
MAPT P10636 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL6868226 1.00 BCHE (0.46) BCHEACHESMN1; SMN2ALOX12LMNA
SCHEMBL6872800 0.91 MCHR1 (0.46) BCHEACHESMN1; SMN2KMT2AADRA2A
SCHEMBL6872807 0.91 MCHR1 (0.46) BCHEACHESMN1; SMN2KMT2AADRA2A
SCHEMBL6876262 0.90 SMN1; SMN2 (0.55) BCHEACHESMN1; SMN2ALOX12LMNA
SCHEMBL6872663 0.90 MEN1 (0.52) SMN1; SMN2ALOX12LMNAKMT2AMAPT
SCHEMBL6872661 0.90 MEN1 (0.52) SMN1; SMN2ALOX12LMNAKMT2AMAPT
SCHEMBL6878840 0.89 SMN1; SMN2 (0.52) SMN1; SMN2ALOX12LMNAKMT2AADRA2A
SCHEMBL6878845 0.89 SMN1; SMN2 (0.52) SMN1; SMN2ALOX12LMNAKMT2AADRA2A
SCHEMBL6878795 0.89 SMN1; SMN2 (0.43) SMN1; SMN2ALOX12LMNAKMT2AADRA2A
SCHEMBL6878792 0.89 SMN1; SMN2 (0.43) SMN1; SMN2ALOX12LMNAKMT2AADRA2A

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