SCHEMBL6983580

SCHEMBL6983580

CCN(CC)CCN(c1ccc2c(c1)nc(CCc1ccc(C(=N)N)cc1)n2CCOC)S(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.52
HDAC1 Q13547 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
NR1I2 O75469 1/20 0.39
CNR2 P34972 1/20 0.38
PTGER4 P35408 1/20 0.36

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
SCHEMBL7668863 0.93 F2 (0.55) F2HDAC1HDAC8
SCHEMBL7667594 0.93 F2 (0.55) F2HDAC1HDAC8NR1I2CNR2
SCHEMBL7672536 0.92 F2 (0.49) F2HDAC1HDAC8CNR2
SCHEMBL7670502 0.92 F2 (0.54) F2HDAC1HDAC8NR1I2CNR2
SCHEMBL7672461 0.91 F2 (0.53) F2HDAC1HDAC8NR1I2CNR2
SCHEMBL7664418 0.91 F2 (0.53) F2HDAC1HDAC8
SCHEMBL7671039 0.91 F2 (0.53) F2HDAC1HDAC8
Hydrochloric Acid SCHEMBL6976898 0.90 F2 (0.49) F2HDAC1HDAC8CNR2
SCHEMBL7670115 0.90 F2 (0.52) F2HDAC1HDAC8CNR2
SCHEMBL7675539 0.89 F2 (0.52) F2HDAC1HDAC8NR1I2

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 2 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
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