SCHEMBL6992481

SCHEMBL6992481

[O-][n+]1ccc2c(OCc3ccccc3)cccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.56
MRGPRX4 Q96LA9 1/20 0.47
MAPT P10636 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.42
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SRD5A2 P31213 1/20 0.40
LIPE Q05469 1/20 0.40

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
SCHEMBL21266907 0.88 GPR84 (0.56) GPR84MRGPRX4MAPTL3MBTL1MAPK1
SCHEMBL29568609 0.79 MRGPRX4 (0.67) MRGPRX4MAPTL3MBTL1MAPK1TDP1
SCHEMBL27629 0.79 MRGPRX4 (0.67) MRGPRX4MAPTL3MBTL1MAPK1TDP1
SCHEMBL5443950 0.77 ALOX5 (0.43) MRGPRX4
Biphenyl SCHEMBL4609497 0.74 MRGPRX4 (0.61) MRGPRX4MAPTL3MBTL1MAPK1TDP1
SCHEMBL754022 0.74 ACHE (0.46) GPR84
SCHEMBL10200747 0.74 GPR84 (0.46) GPR84MAPTL3MBTL1MAPK1TDP1
SCHEMBL9574725 0.73 MAPT (0.67) MRGPRX4MAPTL3MBTL1MAPK1TDP1
SCHEMBL29693897 0.73 MAPT (0.49) GPR84MRGPRX4MAPTL3MBTL1MAPK1
SCHEMBL2798443 0.72 MAPT (0.47) GPR84MRGPRX4MAPTL3MBTL1MAPK1

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