SCHEMBL9029924

SCHEMBL9029924

Cc1cccc(S(=O)(=O)CCc2ccc(C(=N)N)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.46
F2 P00734 7/20 0.46
PRSS1 P07477 4/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
ALDH1A1 P00352 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
FBP1 P09467 1/20 0.40
PLAU P00749 2/20 0.40
HPN P05981 1/20 0.40
KMT2A Q03164 2/20 0.40
ST14 Q9Y5Y6 1/20 0.40
NPC1 O15118 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
SCHEMBL8558127 0.86 F10 (0.47) F10F2PRSS1PRSS2PRSS3
SCHEMBL9031768 0.83 KMT2A (0.57) ALDH1A1PLAUHPNKMT2AST14
SCHEMBL20436792 0.83 KMT2A (0.55) F2ALDH1A1FBP1KMT2ANPC1
SCHEMBL9030021 0.78 F2 (0.47) F10F2PRSS1PRSS2PRSS3
SCHEMBL9031248 0.78 F2 (0.48) F10F2PRSS1PRSS2PRSS3
SCHEMBL9029174 0.78 ALDH1A1 (0.45) F10F2ALDH1A1FBP1PLAU
SCHEMBL8558495 0.77 ABCC9 (0.46) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL9031533 0.73 F2 (0.51) F10F2PRSS1PRSS2PRSS3
SCHEMBL8257058 0.72 KMT2A (0.51) ALDH1A1FBP1KMT2A
SCHEMBL10583477 0.71 ALDH1A1 (0.50) ALDH1A1FBP1KMT2ANPC1

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