SCHEMBL3263281

SCHEMBL3263281

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.54
HIF1A Q16665 1/20 0.49
HTR6 P50406 7/20 0.47
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.42
PKLR P30613 1/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL3255483 0.91 BRD4 (0.50) BRD4HTR6KMT2ASMN1; SMN2MEN1
SCHEMBL3261788 0.89 HIF1A (0.45) BRD4HIF1AHTR6KMT2ASMN1; SMN2
SCHEMBL3253968 0.89 PKM (0.49) KMT2ASMN1; SMN2MEN1MAPTALDH1A1
SCHEMBL3255510 0.89 BRD4 (0.54) BRD4HTR6KMT2ASMN1; SMN2MEN1
SCHEMBL3264336 0.89 HIF1A (0.47) BRD4HIF1AKMT2ASMN1; SMN2MEN1
SCHEMBL3252939 0.88 BRD4 (0.45) BRD4KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL3250519 0.88 BRD4 (0.50) BRD4HIF1AHTR6KMT2AMEN1
SCHEMBL3250772 0.88 HTT (0.42) BRD4HTR6KMT2AMEN1HTT
SCHEMBL3241975 0.88 MEN1 (0.49) BRD4KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL3253042 0.88 HIF1A (0.47) BRD4HIF1AHTR6KMT2ASMN1; SMN2

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