SCHEMBL6867558

SCHEMBL6867558

CCc1ccccc1NC(=S)N[C@H]1CC[C@@H](Nc2nccc(N(C)C)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
ALOX12 P18054 2/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPK14 Q16539 3/20 0.41
MCHR1 Q99705 2/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK8 P45983 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
SCHEMBL6867565 1.00 KMT2A (0.44) KMT2AMEN1CYP3A4CYP2D6MAPT
SCHEMBL6877414 0.89 KMT2A (0.56) KMT2AMEN1CYP2D6HTTMAPK14
SCHEMBL6874218 0.89 MCHR1 (0.41) KMT2AALDH1A1ALOX12HTTMAPK14
SCHEMBL6877409 0.89 KMT2A (0.56) KMT2AMEN1CYP2D6HTTMAPK14
SCHEMBL6874211 0.89 MCHR1 (0.41) KMT2AALDH1A1ALOX12HTTMAPK14
SCHEMBL6876029 0.87 LMNA (0.60) KMT2AMEN1ALDH1A1LMNAALOX12
SCHEMBL6876015 0.87 LMNA (0.60) KMT2AMEN1ALDH1A1LMNAALOX12
SCHEMBL6875325 0.86 ALOX12 (0.44) MAPTALDH1A1ALOX12MCHR1SMN1; SMN2
SCHEMBL6875329 0.86 ALOX12 (0.44) MAPTALDH1A1ALOX12MCHR1SMN1; SMN2
SCHEMBL6872864 0.85 ALDH1A1 (0.56) KMT2AMEN1MAPTALDH1A1LMNA

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