SCHEMBL6874644

SCHEMBL6874644

COc1ccc(NC(=S)NC2CCC(Nc3cc(N(C)C)c4ccccc4n3)CC2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.42
APP P05067 2/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
MCHR1 Q99705 2/20 0.41
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
RAB9A P51151 2/20 0.40
ADRA2A P08913 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL6874633 1.00 MAPT (0.49) MAPTSMN1; SMN2APPBCHEACHE
SCHEMBL6463160 0.91 MCHR1 (0.43) MAPTSMN1; SMN2MCHR1ADRA2ALMNA
SCHEMBL6463137 0.91 MCHR1 (0.43) MAPTSMN1; SMN2MCHR1ADRA2ALMNA
SCHEMBL6880545 0.89 MAPT (0.54) MAPTSMN1; SMN2APPBCHEACHE
SCHEMBL6880550 0.89 MAPT (0.54) MAPTSMN1; SMN2APPBCHEACHE
SCHEMBL6872176 0.87 LMNA (0.53) MAPTSMN1; SMN2MCHR1ADRA2AALDH1A1
SCHEMBL6872189 0.87 LMNA (0.53) MAPTSMN1; SMN2MCHR1ADRA2AALDH1A1
SCHEMBL6874756 0.86 LMNA (0.43) SMN1; SMN2MCHR1ADRA2AALDH1A1LMNA
SCHEMBL6874763 0.86 LMNA (0.43) SMN1; SMN2MCHR1ADRA2AALDH1A1LMNA
SCHEMBL6867611 0.85 SMN1; SMN2 (0.47) MAPTSMN1; SMN2BCHEACHEMCHR1

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