SCHEMBL7671045

SCHEMBL7671045

Cn1c(CCc2ccc(C(=N)N)cc2)nc2cc(N(CC3CCN(Cc4ccccc4)C3)S(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.56
PAX8 Q06710 1/20 0.39
F10 P00742 2/20 0.39
HPN P05981 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
HGFAC Q04756 2/20 0.39
ST14 Q9Y5Y6 2/20 0.39
HDAC1 Q13547 1/20 0.37

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
SCHEMBL7675327 0.92 F2 (0.59) F2PAX8HDAC1
SCHEMBL7670064 0.86 F2 (0.58) F2PAX8F10HPNPRSS1
SCHEMBL7673186 0.84 F2 (0.60) F2PAX8F10
SCHEMBL7670676 0.83 F2 (0.69) F2
SCHEMBL6974717 0.82 F2 (0.62) F2PAX8
SCHEMBL7668884 0.82 F2 (0.59) F2PAX8
SCHEMBL6986249 0.82 F2 (0.61) F2PAX8
SCHEMBL6635670 0.81 F2 (0.74) F2F10HPNPRSS1PRSS2
Hydrochloric Acid SCHEMBL6977321 0.80 F2 (0.67) F2
SCHEMBL7675969 0.80 F2 (0.62) F2PAX8F10HDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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