SCHEMBL8553223

SCHEMBL8553223

N=C(N)c1cccc(CS(=O)(=O)Cc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 5/20 0.63
PRSS2 P07478 5/20 0.63
PRSS3 P35030 5/20 0.63
LOXL2 Q9Y4K0 1/20 0.57
F10 P00742 4/20 0.55
F2 P00734 6/20 0.47
F12 P00748 1/20 0.47
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
PKM P14618 1/20 0.47
PLAU P00749 2/20 0.47
BLM P54132 1/20 0.46
C1S P09871 2/20 0.45
PLG P00747 1/20 0.45
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL11548290 0.85 PRSS1 (0.62) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL8556051 0.84 PRSS1 (0.59) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL11398465 0.82 PRSS1 (0.59) PRSS1PRSS2PRSS3LOXL2F10
Hydrochloric Acid SCHEMBL3295507 0.81 PRSS1 (0.57) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL8556179 0.79 PRSS1 (0.52) PRSS1PRSS2PRSS3LOXL2F10
Phenylmethanesulfonic Acid SCHEMBL7148383 0.78 F2 (0.52) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL8559377 0.77 LOXL2 (0.53) PRSS1PRSS2PRSS3LOXL2F10
Phenylmethylsulfonylfluoride SCHEMBL3497005 0.77 PRSS1 (0.66) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL7118456 0.75 PRSS1 (0.64) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL88641 0.74 CA2 (0.64) PRSS1PRSS2PRSS3F2KMT2A

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