SCHEMBL6169967

SCHEMBL6169967

COC(=O)c1cccc([N+](=O)[O-])c1NC(=O)CCc1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
G6PD P11413 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
DHODH Q02127 1/20 0.42
ALOX12 P18054 1/20 0.40

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
SCHEMBL1917678 0.79 LMNA (0.51) MAPTLMNAALDH1A1NPSR1MEN1
SCHEMBL7012222 0.77 CYP1A2 (0.53) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL7596749 0.77 MAPT (0.43) MAPTLMNAHTTALDH1A1HPGD
SCHEMBL8128216 0.77 KMT2A (0.56) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL9195088 0.76 KMT2A (0.51) MAPTLMNAALDH1A1HPGDMEN1
SCHEMBL12730391 0.76 SMN1; SMN2 (0.52) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL15766786 0.76 ALDH1A1 (0.57) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL7590700 0.76 HCAR2 (0.42) MAPTLMNAHTTALDH1A1HPGD
SCHEMBL6169973 0.74 MAPT (0.49) MAPTLMNAHTTALDH1A1HPGD
SCHEMBL544031 0.73 KMT2A (0.53) MAPTLMNAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 EP disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed