SCHEMBL7000375

SCHEMBL7000375

O=S(=O)(c1ccc2c(Cl)cnc(Cl)c2c1)N1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.69
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.51
POLB P06746 1/20 0.50
GBA1 P04062 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
CASP3 P42574 1/20 0.48
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6433050 0.88 PLAU (0.67) PLAUALDH1A1TSHRPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL6999930 0.83 PLAU (0.68) PLAUALDH1A1TSHRKDM4EHTT
SCHEMBL6438379 0.81 PLAU (0.67) PLAUALDH1A1TSHRPOLBGBA1
Hydrochloric Acid SCHEMBL6995674 0.80 PLAU (0.66) PLAUALDH1A1TSHRPOLBGBA1
SCHEMBL2592677 0.76 PLAU (0.54) PLAUALDH1A1TSHRPOLBGBA1
SCHEMBL6433525 0.75 PLAU (0.48) PLAUALDH1A1
SCHEMBL3149654 0.75 POLB (0.72) ALDH1A1POLBSMN1; SMN2GAALMNA
SCHEMBL30693019 0.75 POLB (0.72) ALDH1A1POLBSMN1; SMN2GAALMNA
SCHEMBL6993186 0.74 PLAU (0.65) PLAUALDH1A1
SCHEMBL20524688 0.74 ALDH1A1 (0.74) PLAUALDH1A1POLBSMN1; SMN2GAA

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