SCHEMBL29026604

SCHEMBL29026604

Nc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.85
NPC1 O15118 10/20 0.85
RAB9A P51151 9/20 0.85
SMN1; SMN2 Q16637 9/20 0.85
NPBWR1 P48145 9/20 0.85
NFKB1 P19838 5/20 0.85
NFKB2 Q00653 4/20 0.85
RELA Q04206 4/20 0.85
CASP3 P42574 2/20 0.85
SENP8 Q96LD8 2/20 0.85
SENP7 Q9BQF6 2/20 0.85
SENP6 Q9GZR1 2/20 0.85
POLB P06746 2/20 0.85
HTT P42858 5/20 0.79
MMP2 P08253 4/20 0.79
MMP9 P14780 4/20 0.79
MMP8 P22894 4/20 0.79
MMP13 P45452 3/20 0.79
MEN1 O00255 7/20 0.72
KMT2A Q03164 7/20 0.72

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
SCHEMBL10117321 0.92 NPBWR1 (1.00) MAPTNPC1RAB9ASMN1; SMN2NPBWR1
SCHEMBL29026603 0.89 NPBWR1 (0.71) MAPTNPC1RAB9ASMN1; SMN2NPBWR1
SCHEMBL31154234 0.89 NPBWR1 (0.71) MAPTNPC1RAB9ASMN1; SMN2NPBWR1
SCHEMBL5566191 0.88 NPC1 (1.00) MAPTNPC1RAB9ASMN1; SMN2NPBWR1
SCHEMBL20982761 0.87 NPC1 (0.97) MAPTNPC1RAB9ASMN1; SMN2NPBWR1
SCHEMBL20982700 0.85 NPC1 (0.94) MAPTNPC1RAB9ASMN1; SMN2NPBWR1
SCHEMBL31357888 0.85 RAB9A (0.81) MAPTNPC1RAB9ASMN1; SMN2NPBWR1
SCHEMBL2251258 0.85 MEN1 (1.00) MAPTNPC1RAB9ASMN1; SMN2NPBWR1
SCHEMBL20982512 0.83 MEN1 (0.96) MAPTNPC1RAB9ASMN1; SMN2NPBWR1
SCHEMBL363703 0.83 MEN1 (1.00) MAPTNPC1RAB9ASMN1; SMN2NPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116375651-B Preparation method of 2- (4-aminophenyl) -5-aminobenzimidazole 山东大学 2024-07-19 CN claimed
CN-116375651-A Preparation method of 2- (4-aminophenyl) -5-aminobenzimidazole 山东大学 2023-07-04 CN claimed
CN-116375651-B Preparation method of 2- (4-aminophenyl) -5-aminobenzimidazole 山东大学 2024-07-19 CN disclosed
CN-116375651-B Preparation method of 2- (4-aminophenyl) -5-aminobenzimidazole 山东大学 2024-07-19 CN disclosed
CN-116375651-A Preparation method of 2- (4-aminophenyl) -5-aminobenzimidazole 山东大学 2023-07-04 CN disclosed
CN-116375651-A Preparation method of 2- (4-aminophenyl) -5-aminobenzimidazole 山东大学 2023-07-04 CN disclosed