SCHEMBL5074465

SCHEMBL5074465

N#Cc1cc(N)cc(C#N)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 5/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 2/20 0.42
MAPT P10636 5/20 0.39
HPGD P15428 3/20 0.39
XDH P47989 1/20 0.39
CYP3A4 P08684 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 4/20 0.35
KHK P50053 1/20 0.34
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CSNK1A1 P48729 1/20 0.32

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
SCHEMBL10119242 0.83 MAPT (0.56) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL2435542 0.83 CYP3A4 (0.56) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL11525607 0.80 VCAM1 (0.39) KDM4EALDH1A1USP2LMNAMAPT
SCHEMBL9477728 0.78 KHK (0.41) KDM4EALDH1A1USP2MAPTHPGD
SCHEMBL9478745 0.78 XDH (0.37) KDM4EALDH1A1USP2MAPTXDH
SCHEMBL9475769 0.78 XDH (0.41) KDM4EALDH1A1USP2MAPTXDH
SCHEMBL27355179 0.78 KDM4E (0.47) KDM4EALDH1A1USP2LMNAMAPT
Nitrogen SCHEMBL28154834 0.76 XDH (0.40) KDM4EALDH1A1USP2MAPTXDH
Hydrochloric Acid SCHEMBL28042811 0.76 XDH (0.40) KDM4EALDH1A1USP2MAPTXDH
SCHEMBL11921125 0.72 ALDH1A1 (0.42) KDM4EALDH1A1USP2LMNAMAPT

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
US-20080124534-A1 Polyamide, Film, and Image Display Device FUJIFILM CORPORATION (JP) 2008-05-29 US disclosed