SCHEMBL6993186

SCHEMBL6993186

NS(=O)(=O)c1ccc2c(Cl)cnc(Cl)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 8/20 0.65
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
CA4 P22748 3/20 0.47
CA5A P35218 3/20 0.47
CA5B Q9Y2D0 3/20 0.47
CA12 O43570 3/20 0.47
CA6 P23280 2/20 0.47
CA7 P43166 2/20 0.47
CA14 Q9ULX7 2/20 0.47
VCAM1 P19320 1/20 0.46
CA3 P07451 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
PLG P00747 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PLAT P00750 1/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL6433525 0.85 PLAU (0.48) PLAUPLGALDH1A1PLAT
SCHEMBL6993808 0.80 PLAU (0.44) PLAUPLGALDH1A1PLATPKM
SCHEMBL14061553 0.78 VCAM1 (0.59) PLAUCA1CA2CA9CA4
SCHEMBL6433050 0.77 PLAU (0.67) PLAUVCAM1ALDH1A1
SCHEMBL6437735 0.77 PLAU (0.61) PLAUCA1CA2CA9PLG
SCHEMBL6433508 0.77 PLAU (0.44) PLAUPLGPLAT
Hydrochloric Acid SCHEMBL6993335 0.76 PLAU (0.60) PLAUCA1CA2CA9PLG
SCHEMBL7000375 0.74 PLAU (0.69) PLAUALDH1A1
SCHEMBL17437011 0.73 CCNC (0.52) PLAUCA1CA2CA9CA4
SCHEMBL6993419 0.73 PLAU (0.60) PLAUCA1CA2CA9CA4

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
EP-1023268-B1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LTD (GB) 2003-05-21 EP disclosed
US-6248738-B1 ANTIULCER AGENTS, ANGIOGENESIS INHIBITORS, ANTIMETASTASIS AGENTS, ANTITUMOR AGENTS PFIZER INC. 2001-06-19 US disclosed
EP-1023268-A1 ISOQUINOLINES AS UROKINASE INHIBITORS Pfizer Limited (GB) 2000-08-02 EP disclosed
WO-1999020608-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LIMITED (GB) 1999-04-29 WO disclosed