SCHEMBL3250772

SCHEMBL3250772

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3c12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
PKM P14618 2/20 0.42
BRD4 O60885 4/20 0.42
POLB P06746 3/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
GFER P55789 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR6 P50406 2/20 0.40
ITK Q08881 1/20 0.39
RAB9A P51151 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
SCHEMBL3243020 0.95 PKM (0.48) HTTPKMPOLBMEN1KMT2A
SCHEMBL3261788 0.93 HIF1A (0.45) BRD4POLBMEN1KMT2AALDH1A1
SCHEMBL3255514 0.92 MEN1 (0.45) BRD4POLBMEN1KMT2AALDH1A1
SCHEMBL3241975 0.92 MEN1 (0.49) HTTPKMBRD4MEN1KMT2A
SCHEMBL3250519 0.92 BRD4 (0.50) PKMBRD4POLBMEN1KMT2A
SCHEMBL3253042 0.92 HIF1A (0.47) BRD4POLBMEN1KMT2AALDH1A1
SCHEMBL3255483 0.91 BRD4 (0.50) PKMBRD4POLBMEN1KMT2A
SCHEMBL3254501 0.91 ITK (0.41) PKMBRD4POLBMEN1KMT2A
SCHEMBL3255510 0.91 BRD4 (0.54) PKMBRD4POLBMEN1KMT2A
SCHEMBL3255929 0.90 BRD4 (0.53) BRD4POLBMEN1KMT2AALDH1A1

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