SCHEMBL17536115

SCHEMBL17536115

Cc1ccc(Nc2ccc(-c3ccc(-c4ccc(Br)cc4)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
HPGD P15428 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RAPGEF4 Q8WZA2 2/20 0.53
HTT P42858 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
GAA P10253 3/20 0.45
G6PD P11413 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
APP P05067 1/20 0.44
KIF11 P52732 1/20 0.44
MAPK1 P28482 1/20 0.42
MAPT P10636 5/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GALR3 O60755 1/20 0.42

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
SCHEMBL5860401 1.00 ALDH1A1 (0.59) ALDH1A1HPGDMEN1KMT2ARAPGEF4
SCHEMBL4873588 0.93 ALDH1A1 (0.68) ALDH1A1HPGDMEN1KMT2ARAPGEF4
SCHEMBL14942254 0.88 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ARAPGEF4HTT
SCHEMBL15178042 0.88 HPGD (0.67) ALDH1A1HPGDMEN1KMT2ARAPGEF4
SCHEMBL1921510 0.88 HPGD (0.67) ALDH1A1HPGDMEN1KMT2ARAPGEF4
SCHEMBL5918700 0.88 HPGD (0.67) ALDH1A1HPGDMEN1KMT2ARAPGEF4
SCHEMBL260551 0.85 ALDH1A1 (0.81) ALDH1A1HPGDMEN1KMT2AHTT
SCHEMBL10002565 0.83 APP (0.55) ALDH1A1HPGDMEN1KMT2ARAPGEF4
SCHEMBL10002566 0.83 RAPGEF4 (0.44) ALDH1A1HPGDMEN1KMT2ARAPGEF4
SCHEMBL9516537 0.80 HPGD (0.78) ALDH1A1HPGDMEN1KMT2ARAPGEF4

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
EP-2655338-B1 BENZOIMIDAZOLE DERIVATIVES FOR USE IN LIGHT-EMITTING DEVICES NITTO DENKO CORP (JP) 2016-02-24 EP disclosed