SCHEMBL7378285

SCHEMBL7378285

NC(=NCl)Nc1cncc2cc(S(=O)(=O)NC3CCCCC3C(=O)O)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.38
ADAM17 P78536 3/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C19 P33261 2/20 0.34
ITGB1 P05556 2/20 0.33
ITGA4 P13612 2/20 0.33
GFER P55789 1/20 0.33
IKBKB O14920 2/20 0.33
JAK2 O60674 2/20 0.33
ROCK2 O75116 2/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
ROCK1 Q13464 2/20 0.33
GRM4 Q14833 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
SCHEMBL7373058 0.84 ALDH1A1 (0.45) PLAUKMT2AJAK2ROCK2TYK2
SCHEMBL7590438 0.84 ALDH1A1 (0.45) PLAUKMT2AJAK2ROCK2TYK2
Hydrochloric Acid SCHEMBL7366884 0.83 ALDH1A1 (0.44) PLAUKMT2AJAK2ROCK2TYK2
SCHEMBL7378281 0.80 ADAM17 (0.37) PLAUADAM17LMNAGAAITGB1
SCHEMBL6434675 0.80 ADAM17 (0.37) PLAUADAM17LMNAGAAITGB1
SCHEMBL6435150 0.80 ADAM17 (0.37) PLAUADAM17LMNAGAAITGB1
Hydrochloric Acid SCHEMBL6433470 0.80 ADAM17 (0.36) PLAUADAM17LMNAGAAITGB1
SCHEMBL7370379 0.79 PLAU (0.54) PLAUKDM4ELMNAPKMALDH1A1
Hydrochloric Acid SCHEMBL7369169 0.78 PLAU (0.54) PLAUKDM4ELMNAPKMALDH1A1
SCHEMBL7365364 0.78 PLAU (0.54) PLAUKDM4ELMNAALDH1A1TSHR

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