SCHEMBL3254501

SCHEMBL3254501

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.41
BRD4 O60885 5/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ADRB3 P13945 1/20 0.39
HIF1A Q16665 4/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL3264336 0.92 HIF1A (0.47) BRD4MEN1ALDH1A1HPGDALOX15
SCHEMBL3250772 0.91 HTT (0.42) ITKBRD4MEN1ALDH1A1HPGD
SCHEMBL3255483 0.91 BRD4 (0.50) BRD4MEN1ALDH1A1HPGDALOX15
SCHEMBL3254912 0.90 BRD4 (0.53) BRD4MEN1ALDH1A1HPGDALOX15
SCHEMBL3252939 0.90 BRD4 (0.45) ITKBRD4MEN1ALDH1A1HPGD
SCHEMBL3243020 0.89 PKM (0.48) MEN1ALDH1A1HPGDALOX15MAPK1
SCHEMBL3245542 0.88 ALDH1A1 (0.42) MEN1ALDH1A1HPGDALOX15MAPK1
SCHEMBL3249858 0.88 HSD17B10 (0.42) MEN1ALDH1A1HPGDALOX15MAPK1
SCHEMBL3261788 0.88 HIF1A (0.45) BRD4MEN1ALDH1A1HPGDALOX15
SCHEMBL3263281 0.87 BRD4 (0.54) BRD4MEN1ALDH1A1HPGDALOX15

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 1 patent. 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