SCHEMBL11548290

SCHEMBL11548290

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

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.62
PRSS2 P07478 4/20 0.62
PRSS3 P35030 4/20 0.62
LOXL2 Q9Y4K0 1/20 0.62
F10 P00742 2/20 0.51
F2 P00734 8/20 0.49
C1S P09871 1/20 0.47
PLG P00747 1/20 0.47

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
SCHEMBL11398465 0.86 PRSS1 (0.59) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL8553223 0.85 PRSS1 (0.63) PRSS1PRSS2PRSS3LOXL2F10
Hydrochloric Acid SCHEMBL3295507 0.85 PRSS1 (0.57) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL8556051 0.82 PRSS1 (0.59) PRSS1PRSS2PRSS3LOXL2F10
Phenylmethanesulfonic Acid SCHEMBL7148383 0.82 F2 (0.52) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL11547040 0.79 F10 (0.61) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL8075846 0.78 CA2 (0.41) PRSS1PRSS2PRSS3F2
Ammonia Solution, Strong SCHEMBL11392652 0.78 F10 (0.59) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL8559377 0.78 LOXL2 (0.53) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL24358796 0.77 PRSS1 (0.71) PRSS1PRSS2PRSS3LOXL2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4001087-A INACTIVATION OF THROMBIN THE UNITED STATES OF AMERICA (US) 1977-01-04 US claimed
US-4150049-A P-NITROPHENYL AMIDINOPHENYLMETHANESULFONATE, THROMBIN INACTIVATION THE GOVERNMENT OF THE UNITED STATES (US) 1979-04-17 US disclosed
US-4150049-A P-NITROPHENYL AMIDINOPHENYLMETHANESULFONATE, THROMBIN INACTIVATION THE GOVERNMENT OF THE UNITED STATES (US) 1979-04-17 US disclosed
US-4001087-A INACTIVATION OF THROMBIN THE UNITED STATES OF AMERICA (US) 1977-01-04 US disclosed