SCHEMBL3247241

SCHEMBL3247241

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc([S+]([O-])Cc4ccccc4)cc3c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 1/20 0.35
MDH2 P40926 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
PARP1 P09874 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
GABRA1 P14867 6/20 0.33
GABRB2 P47870 6/20 0.33
GABRB1 P18505 4/20 0.33
GABRA3 P34903 4/20 0.33
GABRP O00591 3/20 0.33
GABRD O14764 3/20 0.33

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
SCHEMBL3251502 0.88 GABRA1 (0.46) CYP1A2KDM4EGABRA1GABRB2GABRB1
SCHEMBL4153024 0.84 HPGD (0.37) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL3255423 0.80 GABRA1 (0.37) CYP1A2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL3254058 0.80 GABRA1 (0.48) CYP1A2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL3247788 0.78 DAO (0.46) CYP1A2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL3244477 0.77 DAO (0.44) CYP1A2HSD17B10KDM4EALDH1A1HPGD
Propionic Acid SCHEMBL4153028 0.76 ALDH1A1 (0.36) HSD17B10KDM4EALDH1A1HPGDMEN1
SCHEMBL3249304 0.76 NR4A2 (0.48) CYP1A2HSD17B10KDM4EPARP1CSNK2A2
SCHEMBL3247782 0.75 KDM4E (0.54) CYP1A2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL3245608 0.74 ACMSD (0.48) CYP1A2HSD17B10KDM4EPARP1

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 5 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
WO-2010002998-A1 2,4,6-TRISUBSTITUTED PYRIDO (3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-01-07 WO disclosed