SCHEMBL30060554

SCHEMBL30060554

Cn1c(-c2ccccc2)nc2cc(Cc3ccc([N+](=O)[O-])cc3)c(Cc3ccc([N+](=O)[O-])cc3)cc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
RAB9A P51151 4/20 0.62
RXFP1 Q9HBX9 2/20 0.62
PKM P14618 1/20 0.62
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 3/20 0.46
POLB P06746 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
CYP19A1 P11511 1/20 0.44
AHR P35869 1/20 0.44
CASP6 P55212 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PPARG P37231 2/20 0.44
MAPT P10636 3/20 0.43

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
SCHEMBL30064863 0.84 MEN1 (0.46) ALDH1A1RAB9ARXFP1PKMMEN1
SCHEMBL28395843 0.84 PKM (0.56) ALDH1A1RAB9ARXFP1PKMMEN1
SCHEMBL30060552 0.82 KDM4E (0.58) ALDH1A1RAB9APKMMEN1KMT2A
SCHEMBL10986929 0.80 ALDH1A1 (0.71) ALDH1A1RAB9ARXFP1PKMMEN1
SCHEMBL2247368 0.78 ALDH1A1 (1.00) ALDH1A1RAB9ARXFP1PKMMEN1
SCHEMBL31474757 0.76 ALDH1A1 (0.68) ALDH1A1RAB9ARXFP1PKMMEN1
SCHEMBL31474742 0.74 ALDH1A1 (0.65) ALDH1A1RAB9ARXFP1PKMMEN1
SCHEMBL20982763 0.73 ALDH1A1 (0.72) ALDH1A1RAB9ARXFP1PKMMEN1
SCHEMBL20982526 0.73 RAB9A (0.72) ALDH1A1RAB9ARXFP1PKMMEN1
SCHEMBL20982760 0.72 ALDH1A1 (0.69) ALDH1A1RAB9ARXFP1PKMMEN1

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
CN-111057011-B Preparation method of 5, 6-bis (4-aminobenzyl) -1-methyl-2-phenylbenzimidazole 山西大学 2022-11-11 CN claimed
CN-111057011-B Preparation method of 5, 6-bis (4-aminobenzyl) -1-methyl-2-phenylbenzimidazole 山西大学 2022-11-11 CN disclosed