SCHEMBL3241683

SCHEMBL3241683

COc1cc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2cc1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
RET P07949 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GRIN2D O15399 4/20 0.38
GRIN3B O60391 4/20 0.38
GRIN1 Q05586 4/20 0.38
GRIN2A Q12879 4/20 0.38
GRIN2B Q13224 4/20 0.38
GRIN2C Q14957 4/20 0.38
GRIN3A Q8TCU5 4/20 0.38
POLB P06746 3/20 0.36
GAA P10253 3/20 0.36
PRKAB2 O43741 3/20 0.36
PRKAG1 P54619 3/20 0.36
PRKAA2 P54646 3/20 0.36
PRKAA1 Q13131 3/20 0.36
PRKAG3 Q9UGI9 3/20 0.36
PRKAG2 Q9UGJ0 3/20 0.36

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
SCHEMBL3249318 0.90 RET (0.48) KDM4EALDH1A1HPGDRETSMN1; SMN2
SCHEMBL3252215 0.85 ALDH1A1 (0.46) KDM4EALDH1A1HPGDGAACYP1A2
SCHEMBL3247067 0.81 CSNK2A2 (0.43) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4163219 0.81 GPR17 (0.38) KDM4EALDH1A1HPGDRETSMN1; SMN2
SCHEMBL3244469 0.78 KDM4E (0.52) KDM4EALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL3248781 0.78 KDM4E (0.40) KDM4EALDH1A1HPGDRETSMN1; SMN2
SCHEMBL3247132 0.76 PKM (0.39) KDM4EALDH1A1HPGDRETPOLB
SCHEMBL3243089 0.76 CYP1A2 (0.45) KDM4EALDH1A1POLBGAACYP1A2
SCHEMBL3254551 0.75 ALDH1A1 (0.52) KDM4EALDH1A1HPGDRETPOLB
SCHEMBL3249118 0.74 KDM4E (0.51) KDM4EALDH1A1HPGDSMN1; SMN2POLB

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-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP disclosed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO disclosed