SCHEMBL7417420

SCHEMBL7417420

CNc1ccc(C2(C(=O)c3cccnc3)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
NPC1 O15118 1/20 0.52
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HCAR3 P49019 1/20 0.45
POLB P06746 1/20 0.44
CDC25B P30305 1/20 0.42
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL7416926 0.85 MAPT (0.50) MAPTNPC1KMT2AMEN1HCAR3
SCHEMBL7415701 0.82 HDAC1 (0.41) POLBALDH1A1SMN1; SMN2
SCHEMBL8026140 0.80 MEN1 (0.53) MAPTNPC1KMT2AMEN1HCAR3
SCHEMBL7419156 0.78 MAPT (0.39) MAPTNPC1KMT2AMEN1HCAR3
SCHEMBL7412060 0.78 MAPT (0.55) MAPTKMT2AMEN1POLBHTT
SCHEMBL7412565 0.78 HCAR3 (0.57) MAPTHCAR3POLBCDC25BHTT
SCHEMBL7424865 0.72 HCAR3 (0.53) MAPTKMT2AMEN1HCAR3POLB
SCHEMBL7410714 0.72 HCAR3 (0.47) MAPTKMT2AHCAR3CDC25BHTT
SCHEMBL7412123 0.72 HSD11B1 (0.48) MAPTKMT2AMEN1HCAR3POLB
SCHEMBL7416558 0.71 ALDH1A1 (0.53) KMT2AHCAR3ALDH1A1CYP1A2LMNA

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-1152866-C Benzimidazoles, production thereof and use thereof medicaments ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-06-09 CN disclosed
EP-1095025-B1 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2002-12-11 EP disclosed
CN-1308614-A Benzimidazoles, production thereof and use thereof medicaments BOEHRINGER INGELHEIM PHAMA KG (DE) 2001-08-15 CN disclosed
US-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 US disclosed
EP-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP disclosed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 WO disclosed