SCHEMBL6983779

SCHEMBL6983779

Cn1c(CCc2ccc(C(=N)N)cc2)nc2cc(N(C3CCNCC3)S(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.62
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 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
SCHEMBL6977925 0.96 F2 (0.59) F2HDAC1HDAC8
SCHEMBL7675969 0.92 F2 (0.62) F2HDAC1
SCHEMBL7670064 0.89 F2 (0.58) F2HDAC1
SCHEMBL7676413 0.89 F2 (0.58) F2HDAC1
SCHEMBL7670676 0.83 F2 (0.69) F2
SCHEMBL6635670 0.81 F2 (0.74) F2
SCHEMBL7675327 0.81 F2 (0.59) F2HDAC1
SCHEMBL7673186 0.80 F2 (0.60) F2
Hydrochloric Acid SCHEMBL6977321 0.80 F2 (0.67) F2
SCHEMBL6974717 0.80 F2 (0.62) F2

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