SCHEMBL6985966

SCHEMBL6985966

Cn1c(CCc2ccc(C(=N)N)cc2)nc2cc(N(C(C=O)N3CCNCC3)S(=O)(=O)c3ccc4ccccc4c3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.49
F10 P00742 3/20 0.37
PRSS1 P07477 2/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6985965 0.83 F2 (0.57) F2F10PRSS1MEN1ALDH1A1
SCHEMBL6986674 0.78 F2 (0.61) F2F10PRSS1
SCHEMBL6986197 0.77 F2 (0.56) F2MEN1ALDH1A1KMT2A
SCHEMBL6987103 0.77 F2 (0.53) F2F10ALDH1A1
SCHEMBL7396594 0.76 F2 (0.58) F2
SCHEMBL6983779 0.76 F2 (0.62) F2
SCHEMBL7670676 0.73 F2 (0.69) F2MEN1KMT2A
SCHEMBL7675969 0.73 F2 (0.62) F2F10
SCHEMBL6977925 0.72 F2 (0.59) F2
SCHEMBL6974717 0.71 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