SCHEMBL6878232

SCHEMBL6878232

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=S)Nc3ccc(/N=N/c4ccccc4)cc3)CC2)nc2c1CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 4/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX12 P18054 3/20 0.39
MCHR1 Q99705 10/20 0.38
ADRA2A P08913 9/20 0.38
HTT P42858 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6878237 1.00 MAPT (0.40) MAPTSMN1; SMN2LMNAGAAMEN1
SCHEMBL6878242 1.00 MAPT (0.40) MAPTSMN1; SMN2LMNAGAAMEN1
SCHEMBL6879741 0.93 SMN1; SMN2 (0.39) MAPTSMN1; SMN2LMNAGAAMEN1
SCHEMBL6879736 0.93 SMN1; SMN2 (0.39) MAPTSMN1; SMN2LMNAGAAMEN1
SCHEMBL6879728 0.93 SMN1; SMN2 (0.39) MAPTSMN1; SMN2LMNAGAAMEN1
SCHEMBL6878625 0.92 SMN1; SMN2 (0.45) MAPTSMN1; SMN2LMNAGAAMEN1
SCHEMBL6878621 0.92 SMN1; SMN2 (0.45) MAPTSMN1; SMN2LMNAGAAMEN1
SCHEMBL6876262 0.88 SMN1; SMN2 (0.55) MAPTSMN1; SMN2LMNAGAAMEN1
SCHEMBL6868208 0.87 MCHR1 (0.43) MAPTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL6868212 0.87 MCHR1 (0.43) MAPTSMN1; SMN2GAAMEN1KMT2A

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