SCHEMBL7378754

SCHEMBL7378754

NC(=NCl)Nc1cncc2cc(S(=O)(=O)N(CC(=O)OC(=O)C(F)(F)F)c3ccccc3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.35
NR1I2 O75469 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 5/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 3/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 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
SCHEMBL7363430 0.88 PLAU (0.42) PLAUALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7048344 0.87 PLAU (0.42) PLAUNR1I2ALDH1A1MAPTLMNA
SCHEMBL7448814 0.84 SMN1; SMN2 (0.36) PLAUALDH1A1MAPTLMNAHTT
SCHEMBL7366299 0.83 PLAU (0.38) PLAUMAPTLMNASMN1; SMN2NPSR1
SCHEMBL7371684 0.82 ALDH1A1 (0.37) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL7369185 0.81 PLAU (0.36) PLAU
SCHEMBL7374054 0.80 PLAU (0.38) PLAUALDH1A1
SCHEMBL7368832 0.77 F2 (0.40) ALDH1A1MAPT
SCHEMBL6437292 0.76 PLAU (0.53) PLAUL3MBTL1NR1I2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7366875 0.76 PLAU (0.42) PLAUALDH1A1KDM4E

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