SCHEMBL6989543

SCHEMBL6989543

OCc1cccc2c(Cl)nccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
MAPT P10636 4/20 0.50
MAPK1 P28482 2/20 0.50
CYP3A4 P08684 2/20 0.50
APEX1 P27695 1/20 0.50
PMP22 Q01453 1/20 0.50
KDM4E B2RXH2 4/20 0.49
TP53 P04637 2/20 0.49
ALOX12 P18054 2/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RECQL P46063 1/20 0.37
CYP19A1 P11511 2/20 0.36
PDXK O00764 1/20 0.35
PDE4A P27815 1/20 0.34

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
SCHEMBL10426539 0.79 MAPT (0.45) LMNAMAPTMAPK1CYP3A4APEX1
SCHEMBL6844790 0.76 PDXK (0.50) LMNAMAPTMAPK1CYP3A4APEX1
SCHEMBL5663372 0.76 MAPT (0.53) LMNAMAPTMAPK1CYP3A4APEX1
SCHEMBL29602462 0.76 APOBEC3G (0.48) LMNAMAPTKDM4ETP53ALOX12
SCHEMBL3034972 0.76 APOBEC3G (0.48) LMNAMAPTKDM4ETP53ALOX12
SCHEMBL12266517 0.76 LMNA (0.60) LMNAMAPTMAPK1CYP3A4APEX1
SCHEMBL30892029 0.75 CYP1A2 (0.59) LMNAMAPTMAPK1CYP3A4APEX1
SCHEMBL580627 0.75
SCHEMBL30850781 0.75
SCHEMBL1315786 0.75 CYP1A2 (0.59) LMNAMAPTMAPK1CYP3A4APEX1

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 5 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
CN-1275979-A Isoquinoline compounds useful as urokinase inhibitors PFIZER (US) 2000-12-06 CN 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