SCHEMBL7378281

SCHEMBL7378281

N=C(N)N(Cl)c1cncc2cc(S(=O)(=O)NC3CCCCC3C(=O)O)ccc12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.37
PLAU P00749 1/20 0.36
GAA P10253 2/20 0.32
F10 P00742 3/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
ITGB1 P05556 3/20 0.32
ITGA4 P13612 3/20 0.32
LMNA P02545 3/20 0.32
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.32
GFER P55789 1/20 0.32

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
SCHEMBL6435150 1.00 ADAM17 (0.37) ADAM17PLAUGAAF10F2
SCHEMBL6434675 1.00 ADAM17 (0.37) ADAM17PLAUGAAF10F2
Hydrochloric Acid SCHEMBL6433470 0.99 ADAM17 (0.36) ADAM17PLAUGAAF10F2
SCHEMBL7373053 0.84 ALDH1A1 (0.45) PLAULMNAALDH1A1TDP1
SCHEMBL7590429 0.84 ALDH1A1 (0.45) PLAULMNAALDH1A1TDP1
SCHEMBL6433528 0.84 ALDH1A1 (0.45) PLAULMNAALDH1A1TDP1
Hydrochloric Acid SCHEMBL6434299 0.83 ALDH1A1 (0.44) PLAULMNAALDH1A1TDP1
Hydrochloric Acid SCHEMBL6433791 0.83 ALDH1A1 (0.44) PLAULMNAALDH1A1TDP1
SCHEMBL7378285 0.80 PLAU (0.38) ADAM17PLAUGAAITGB1ITGA4
SCHEMBL7370376 0.78 PLAU (0.53) PLAUALDH1A1

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-1077945-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2001-02-28 EP disclosed
WO-2000005214-A2 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2000-02-03 WO disclosed