SCHEMBL3249171

SCHEMBL3249171

CC(=O)Nc1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.51
KDM4E B2RXH2 5/20 0.50
HPGD P15428 5/20 0.50
ALDH1A1 P00352 4/20 0.50
ESR1 P03372 1/20 0.50
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
KMT2A Q03164 1/20 0.49
ERCC1 P07992 2/20 0.48
FEN1 P39748 2/20 0.48
ERCC4 Q92889 2/20 0.48
DNASE1 P24855 1/20 0.48
MAOA P21397 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
BRD4 O60885 2/20 0.43
PRNP P04156 1/20 0.41
CYP1A2 P05177 1/20 0.40
LMNA P02545 1/20 0.40
CYP2C9 P11712 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
SCHEMBL3249950 0.88 DHODH (0.47) CHEK1KDM4EMTNR1AMTNR1BKMT2A
SCHEMBL3249866 0.88 CHEK1 (0.41) CHEK1KDM4EHPGDALDH1A1ESR1
SCHEMBL3250224 0.88 CYP1A2 (0.42) CHEK1KDM4EHPGDALDH1A1ESR1
SCHEMBL3249243 0.88 MEN1 (0.55) KMT2AALOX15BRD4LMNASMN1; SMN2
SCHEMBL3241804 0.86 KDR (0.44) CHEK1KDM4EHPGDALDH1A1ESR1
SCHEMBL3251105 0.85 BRD4 (0.62) KDM4EALDH1A1KMT2AMAOABRD4
SCHEMBL13928204 0.85 MMP13 (0.51) CHEK1KDM4EHPGDALDH1A1ESR1
SCHEMBL3245050 0.84 PARP1 (0.44) KDM4EHPGDALDH1A1KMT2AHSD17B10
SCHEMBL3250871 0.84 BRD4 (0.40) CHEK1HSD17B10BRD4CYP1A2
SCHEMBL3245032 0.83 CYP1A2 (0.40) CHEK1KDM4EKMT2AHSD17B10BRD4

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 6 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-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP claimed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO 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