SCHEMBL9655258

SCHEMBL9655258

CCCN1C=CC=Nc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
NSD2 O96028 2/20 0.46
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 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
SCHEMBL6112587 0.69
SCHEMBL20850421 0.69
SCHEMBL24338104 0.66 DHFR (0.33)
SCHEMBL29272001 0.65 KDM4E (0.43) KDM4EMAPTNSD2ADRA2AADRA2B
SCHEMBL28252759 0.64 MEN1 (0.41) KDM4EMAPTNSD2ADRA2AADRA2B
SCHEMBL9008263 0.62 ALDH1A1 (0.42) KDM4EMAPTNSD2ADRA2AADRA2B
SCHEMBL29394860 0.61 TRPA1 (0.32) MAPT
SCHEMBL30218263 0.61 TRPA1 (0.32) MAPT
SCHEMBL29011576 0.61 KDM4E (0.40) KDM4EMAPTNSD2ADRA2AADRA2B
SCHEMBL16422227 0.60 LMNA (0.52) MAPTADRA2AADRA2BADRA2CLMNA

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-0487155-A1 Substituted-2,3-dihydro-2-oxo-1,5-benzodiazepines and their use as fungicides EASTMAN KODAK COMPANY (US) 1992-05-27 EP claimed
EP-0487155-A1 Substituted-2,3-dihydro-2-oxo-1,5-benzodiazepines and their use as fungicides EASTMAN KODAK COMPANY (US) 1992-05-27 EP disclosed