SCHEMBL4748064

SCHEMBL4748064

Cc1cccc(N(c2ccc(/C=N/N(c3ccccc3)c3ccccc3)c(C)c2)c2ccccc2C)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.41
EIF4H Q15056 1/20 0.41
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
USP2 O75604 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
AMY1A P0DUB6 1/20 0.32
HSD17B1 P14061 2/20 0.31
HSD17B2 P37059 2/20 0.31

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
SCHEMBL9876003 0.83 MAPT (0.55) MAPTGAAMAPK1HTTPOLB
SCHEMBL12677642 0.82 MAPT (0.51) MAPTGAAMAPK1HTTPOLB
SCHEMBL12677643 0.81 MAPT (0.38) MAPTGAAMAPK1HTTPOLB
SCHEMBL1702562 0.77 MAPT (0.51) MAPTGAAMAPK1HTTPOLB
SCHEMBL1702564 0.77 MAPT (0.51) MAPTGAAMAPK1HTTPOLB
SCHEMBL11321702 0.76 HSD17B1 (0.36) MAPTMAPK1HTTMEN1KMT2A
SCHEMBL21695741 0.75 CYP1A2 (0.39) MAPTHTTMEN1KMT2ATDP1
SCHEMBL17810331 0.75 MEN1 (0.47) MAPTGAAMAPK1HTTPOLB
SCHEMBL21173774 0.75 ACHE (0.42) MAPTMAPK1HTTTDP1CYP1A2
SCHEMBL15306320 0.74 HSD17B1 (0.41) MAPTHTTPOLBMEN1KMT2A

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-2008133617-A1 PHOTOCONDUCTOR HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2008-11-06 WO disclosed