SCHEMBL10120185

SCHEMBL10120185

CN(C)c1ccc(-c2nc3ccccn3c2NCC(=O)N2CCN(c3ncccc3N)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
TP53 P04637 5/20 0.46
GAA P10253 6/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NTRK1 P04629 3/20 0.41
TOP2A P11388 1/20 0.39
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 2/20 0.37
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PLAU P00749 1/20 0.37
PARP1 P09874 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
SCHEMBL15179287 0.88 KDM4E (0.45) MAPTTP53GAAALDH1A1KDM4E
SCHEMBL10120315 0.83 MAPT (0.49) MAPTTP53GAAALDH1A1KDM4E
SCHEMBL10120623 0.83 MAPT (0.47) MAPTTP53GAAALDH1A1KDM4E
SCHEMBL10120313 0.82 MAPT (0.46) MAPTTP53GAAALDH1A1KDM4E
SCHEMBL15179491 0.81 MAPT (0.46) MAPTTP53GAAALDH1A1KDM4E
SCHEMBL10120435 0.81 MAPT (0.45) MAPTTP53GAAALDH1A1KDM4E
SCHEMBL15179332 0.81 MAPT (0.45) MAPTTP53GAAALDH1A1KDM4E
SCHEMBL15179292 0.79 GAA (0.46) MAPTTP53GAAALDH1A1KDM4E
SCHEMBL15179358 0.79 MAPT (0.46) MAPTTP53GAAALDH1A1KDM4E
SCHEMBL10120309 0.79 GAA (0.46) MAPTTP53GAAALDH1A1KDM4E

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
WO-2012018662-A2 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS SCHERING CORPORATION (US) 2012-02-09 WO disclosed