SCHEMBL8558127

SCHEMBL8558127

Cc1cccc(S(=O)(=O)Cc2ccc(C(=N)N)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
FBP1 P09467 1/20 0.42
F2 P00734 3/20 0.42
MAPT P10636 3/20 0.41
ST14 Q9Y5Y6 2/20 0.41
KMT2A Q03164 1/20 0.41
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL9029924 0.86 F10 (0.46) F10LOXL2FBP1F2ST14
SCHEMBL8554901 0.82 MAPT (0.54) F10LOXL2F2MAPTKMT2A
SCHEMBL8556017 0.82 TSHR (0.58) F10LOXL2F2MAPTKMT2A
SCHEMBL9030021 0.80 F2 (0.47) F10F2ST14PRSS1PRSS2
SCHEMBL9031248 0.80 F2 (0.48) F10F2ST14PRSS1PRSS2
SCHEMBL9029174 0.80 ALDH1A1 (0.45) F10FBP1F2MAPTKMT2A
SCHEMBL8558495 0.80 ABCC9 (0.46) F2MAPTKMT2APRSS1PRSS2
SCHEMBL8170318 0.76 TSHR (0.68) F10LOXL2F2MAPTKMT2A
SCHEMBL9031533 0.75 F2 (0.51) F10F2MAPTST14PRSS1
SCHEMBL11547040 0.73 F10 (0.61) F10LOXL2F2MAPTST14

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-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP disclosed
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP disclosed