SCHEMBL9849284

SCHEMBL9849284

N#Cc1nccc2ccc(P(=O)(O)O)cc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
PLAU P00749 3/20 0.31
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
USP7 Q93009 1/20 0.31
USP47 Q96K76 1/20 0.31
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
FBP1 P09467 3/20 0.30

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
SCHEMBL9849208 0.77 GRIN2D (0.39) FDPSPLAU
SCHEMBL9849130 0.74 PLAU (0.38) ALDH1A1TDP1KDM4EPLAUPLG
SCHEMBL23088349 0.73 USP8 (0.44) ALDH1A1TDP1KDM4EPOLBUSP7
SCHEMBL29792782 0.73 USP8 (0.44) ALDH1A1TDP1KDM4EPOLBUSP7
SCHEMBL28518453 0.73 USP8 (0.44) ALDH1A1KDM4EUSP7USP47
SCHEMBL30576360 0.72 KDM4E (0.36) ALDH1A1KDM4EPOLB
SCHEMBL15124651 0.72 KDM4E (0.36) ALDH1A1KDM4EPOLB
SCHEMBL9849240 0.69 POLB (0.39) FDPSALDH1A1KDM4EPOLBGSK3A
SCHEMBL29358794 0.69 PLAU (0.50) FDPSALDH1A1KDM4EPOLBPLAU
SCHEMBL251028 0.69 PLAU (0.50) FDPSALDH1A1KDM4EPOLBPLAU

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-0421436-A2 Substituted carboxytetrahydroisoquinolines and derivatives thereof having pharmaceutical activity WARNER-LAMBERT COMPANY (US) 1991-04-10 EP claimed
EP-0421436-A2 Substituted carboxytetrahydroisoquinolines and derivatives thereof having pharmaceutical activity WARNER-LAMBERT COMPANY (US) 1991-04-10 EP disclosed