SCHEMBL6983628

SCHEMBL6983628

CCOCCCc1c([N+](=O)[O-])ccc(N)c1N

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 2/20 0.40
POLB P06746 3/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 6/20 0.35
CYP3A4 P08684 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL6232035 0.86 ALDH1A1 (0.43) ALDH1A1MAPTLMNATSHRPOLB
SCHEMBL17242666 0.84 TSHR (0.45) ALDH1A1MAPTLMNATSHRPOLB
SCHEMBL2718367 0.80 MAPT (0.44) ALDH1A1MAPTLMNATSHRPOLB
SCHEMBL2337048 0.77 POLB (0.47) ALDH1A1MAPTLMNATSHRPOLB
SCHEMBL31098941 0.74 KCNH2 (0.39) ALDH1A1MAPTLMNATSHRPOLB
SCHEMBL5484250 0.74 TSHR (0.44) ALDH1A1MAPTLMNATSHRPOLB
SCHEMBL17186886 0.74 ALDH1A1 (0.42) ALDH1A1MAPTLMNATSHRPOLB
SCHEMBL17186888 0.74 ALDH1A1 (0.41) ALDH1A1MAPTLMNATSHRPOLB
SCHEMBL25221130 0.72 MAPT (0.36) ALDH1A1MAPTLMNATSHRPOLB
SCHEMBL588286 0.71 TSHR (0.55) ALDH1A1MAPTLMNATSHRPOLB

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-1220844-B1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2003-04-09 EP disclosed
EP-1220844-A1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-07-10 EP disclosed
US-6365584-B1 FOR PROPHYLAXIS AND THERAPY OF INFLAMMATORY AND/OR ALLERGIC DISEASES, LUNG FIBROSIS, FIBROSING ALVEOLITIS AND SCARRING, COLLAGENOSES SUCH AS LUPUS ERYTHEMATODES AND SCLERODERMIA AS WELL AS ARTERIOSCLEROSIS, PSORIASIS AND NEOPLASM BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-04-02 US disclosed
WO-2001023360-A1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-05 WO disclosed