SCHEMBL6986674

SCHEMBL6986674

Cn1c(CCc2ccc(C(=N)N)cc2)nc2cc(N(Cc3ccccn3)S(=O)(=O)c3ccc4ccccc4c3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.61
F10 P00742 5/20 0.42
PRSS1 P07477 3/20 0.40
SLC22A2 O15244 1/20 0.40
PLG P00747 1/20 0.40
PLAT P00750 1/20 0.40
PROC P04070 1/20 0.40
HPN P05981 1/20 0.40
PRSS2 P07478 1/20 0.40
NQO2 P16083 1/20 0.40
PRSS3 P35030 1/20 0.40
SLC47A2 Q86VL8 1/20 0.40
SLC47A1 Q96FL8 1/20 0.40
F7 P08709 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL7396594 0.87 F2 (0.58) F2HTR2C
SCHEMBL6986197 0.86 F2 (0.56) F2
SCHEMBL6987103 0.84 F2 (0.53) F2F10F7
SCHEMBL7670676 0.83 F2 (0.69) F2
SCHEMBL6985965 0.83 F2 (0.57) F2F10PRSS1
Hydrochloric Acid SCHEMBL6977321 0.80 F2 (0.67) F2
SCHEMBL6635670 0.80 F2 (0.74) F2F10PRSS1SLC22A2PLG
Hydrochloric Acid SCHEMBL6970385 0.79 F2 (0.59) F2F10
Hydrochloric Acid SCHEMBL6964830 0.79 F2 (0.51) F2
SCHEMBL6985966 0.78 F2 (0.49) F2F10PRSS1

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