SCHEMBL6991069

SCHEMBL6991069

Clc1nccc2ccc(-c3ccccc3)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.55
PLG P00747 1/20 0.55
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
APEX1 P27695 1/20 0.51
MAPK1 P28482 1/20 0.51
PMP22 Q01453 1/20 0.51
MAPK10 P53779 1/20 0.46
PIK3CA P42336 1/20 0.44
MAP4K4 O95819 2/20 0.43
MAPKAPK2 P49137 1/20 0.41
PARG Q86W56 1/20 0.40
ALK Q9UM73 1/20 0.40
ESR2 Q92731 2/20 0.39
ESR1 P03372 1/20 0.39
CYP1A2 P05177 1/20 0.39
BACE1 P56817 1/20 0.39
FGFR1 P11362 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38

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
SCHEMBL722687 0.84 MAPT (0.42) PLAUPLGMAPTLMNACYP3A4
SCHEMBL30634953 0.81 CYP3A4 (0.65) PLAUPLGMAPTLMNACYP3A4
SCHEMBL26624048 0.81 CYP3A4 (0.65) PLAUPLGMAPTLMNACYP3A4
SCHEMBL28744197 0.80 TAAR1 (0.47) PLAUPLGMAPTLMNACYP3A4
SCHEMBL786503 0.79 CYP2A6 (0.58) PLAUPLGMAPTCYP3A4MAPK1
SCHEMBL27991605 0.78 PLG (0.55) PLAUPLGMAPK10PIK3CAMAP4K4
SCHEMBL27524173 0.77 BACE1 (0.44) MAPTLMNACYP3A4APEX1MAPK1
SCHEMBL30960425 0.76 ESR1 (0.54) PLAUPLGMAP4K4ESR2ESR1
SCHEMBL3695546 0.76 ESR1 (0.54) PLAUPLGMAP4K4ESR2ESR1
SCHEMBL27550538 0.76 ALK (0.44) MAPTLMNACYP3A4APEX1MAPK1

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