SCHEMBL3773100

SCHEMBL3773100

Cc1ccc2cccnc2c1.Cc1cccc2ncccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.72
CYP1A2 P05177 6/20 0.51
CYP2A6 P11509 1/20 0.51
CYP3A4 P08684 1/20 0.46
MEN1 O00255 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
NR4A2 P43354 1/20 0.45
LMNA P02545 1/20 0.45
CCR1 P32246 2/20 0.42
CCR8 P51685 2/20 0.42
CCR5 P51681 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1B1 Q16678 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
NQO2 P16083 1/20 0.41

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
SCHEMBL12361 0.85 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2A6CYP3A4MEN1
SCHEMBL30489850 0.85 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2A6CYP3A4MEN1
SCHEMBL29518639 0.85 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2A6CYP3A4MEN1
SCHEMBL6047936 0.83 ALDH1A1 (0.96) ALDH1A1CYP1A2CYP2A6CYP3A4MEN1
SCHEMBL129944 0.83 MAPT (0.58) ALDH1A1CYP1A2CYP2A6CYP3A4MEN1
Hydrogen Sulfide SCHEMBL27577867 0.81 MAPT (0.56) ALDH1A1CYP1A2CYP2A6CYP3A4MEN1
SCHEMBL852352 0.81 MAPT (0.56) ALDH1A1CYP1A2CYP2A6CYP3A4MEN1
SCHEMBL27598199 0.81 MAPT (0.56) ALDH1A1CYP1A2CYP2A6CYP3A4MEN1
Hydrogen Sulfide SCHEMBL27488502 0.79 MAPT (0.54) ALDH1A1CYP1A2CYP2A6CYP3A4MEN1
Hydrogen Sulfide SCHEMBL27489153 0.79 MAPT (0.54) ALDH1A1CYP1A2CYP2A6CYP3A4MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1829683-B1 On-press development and printing method and printing apparatus FUJIFILM CORP (JP) 2012-05-16 EP disclosed
EP-1829683-A2 On-press development and printing method and printing apparatus FUJIFILM Corporation (JP) 2007-09-05 EP disclosed