SCHEMBL28052830

SCHEMBL28052830

Brc1ccc2nc(-c3ccccc3)[nH]c2c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 3/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
GFER P55789 1/20 0.45
RCE1 Q9Y256 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
FTO Q9C0B1 1/20 0.45
TNKS O95271 2/20 0.45

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
SCHEMBL23120662 0.84 NPC1 (0.39) NPC1RAB9AGAAMAPTALDH1A1
SCHEMBL29070667 0.83 NPC1 (0.49) NPC1RAB9AGAAMAPTALDH1A1
SCHEMBL5939 0.81 NPC1 (0.55) NPC1RAB9AGAAMAPTALDH1A1
SCHEMBL23120224 0.80 MAPT (0.39) RAB9AMAPTALDH1A1KDM4ETP53
SCHEMBL29949311 0.80 MAPT (0.39) RAB9AMAPTALDH1A1KDM4ETP53
SCHEMBL27987448 0.79 NPC1 (0.41) NPC1RAB9AGAAMAPTALDH1A1
SCHEMBL27858444 0.75 L3MBTL1 (0.49) GAAMAPTALDH1A1KDM4EHPGD
SCHEMBL31349356 0.75 MAP4K4 (0.45) NPC1RAB9AGAATNKSTNKS2
SCHEMBL10385942 0.75 NPC1 (0.47) NPC1RAB9AGAAMAPTALDH1A1
SCHEMBL280520 0.74 TNKS (0.54) NPC1RAB9AGAAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104194778-B Phosphorus-oxygen groups modifies the preparation method of N-Phenyl-benzoimidazol electron transport material, synthetic method and electro phosphorescent device HEILONGJIANG UNIVERSITY (CN) 2016-03-30 CN claimed
CN-104194778-B Phosphorus-oxygen groups modifies the preparation method of N-Phenyl-benzoimidazol electron transport material, synthetic method and electro phosphorescent device HEILONGJIANG UNIVERSITY (CN) 2016-03-30 CN disclosed
CN-104194778-B Phosphorus-oxygen groups modifies the preparation method of N-Phenyl-benzoimidazol electron transport material, synthetic method and electro phosphorescent device HEILONGJIANG UNIVERSITY (CN) 2016-03-30 CN disclosed