SCHEMBL3255249

SCHEMBL3255249

COc1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)c4[nH]cc(C(=O)O)c4c3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.60
HTR6 P50406 2/20 0.53
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
GAA P10253 4/20 0.52
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
GFER P55789 1/20 0.52
CDK5 Q00535 1/20 0.52
CDK5R1 Q15078 1/20 0.52
POLB P06746 1/20 0.49
ESR1 P03372 1/20 0.47
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.44
CYP19A1 P11511 1/20 0.44
BACE1 P56817 1/20 0.44
MAPT P10636 3/20 0.43

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
SCHEMBL3249048 0.94 POLB (0.54) BRD4HTR6MEN1KMT2AGAA
SCHEMBL3245585 0.90 BRD4 (0.50) BRD4MEN1KMT2AGAAPOLB
SCHEMBL3246043 0.89 BRD4 (0.48) BRD4HTR6MEN1KMT2AGAA
SCHEMBL3254038 0.88 BRD4 (0.55) BRD4HTR6MEN1KMT2AGAA
SCHEMBL3249236 0.88 BRD4 (0.60) BRD4HTR6POLBMAPT
SCHEMBL3244659 0.88 POLB (0.57) BRD4MEN1KMT2AGAAPOLB
SCHEMBL3249243 0.88 MEN1 (0.55) BRD4HTR6MEN1KMT2AGAA
SCHEMBL3251041 0.88 MAPT (0.50) BRD4HTR6MEN1KMT2AGAA
SCHEMBL3248780 0.87 BRD4 (0.58) BRD4HTR6GAAESR1PKM
SCHEMBL3248975 0.87 POLB (0.49) BRD4HTR6MEN1KMT2AGAA

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