SCHEMBL4778484

SCHEMBL4778484

COc1ccc(-c2ncco2)c(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
PABPC1 P11940 1/20 0.48
KDM1A O60341 1/20 0.45
SLC22A12 Q96S37 2/20 0.44
SCN9A Q15858 8/20 0.44
LMNA P02545 4/20 0.43
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
CCR9 P51686 2/20 0.43
HTT P42858 2/20 0.42
STAT3 P40763 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 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
SCHEMBL4781526 0.92 MEN1 (0.48) KMT2AMEN1PABPC1SLC22A12SCN9A
SCHEMBL4782048 0.86 PGR (0.54) KMT2AKDM1ASCN9ALMNAALDH1A1
SCHEMBL4781517 0.85 MEN1 (0.41) KMT2AMEN1PABPC1SLC22A12SCN9A
SCHEMBL3095654 0.83 STAT3 (0.51) KMT2AMEN1SCN9ALMNATSHR
SCHEMBL4727568 0.81 GFER (0.43) KMT2AMEN1PABPC1SLC22A12SCN9A
SCHEMBL4781379 0.81 TSHR (0.46) KMT2AMEN1SLC22A12SCN9ALMNA
SCHEMBL4779284 0.80 AXL (0.51) KMT2AMEN1SCN9ALMNATSHR
SCHEMBL13146426 0.79 CCR2 (0.52) SCN9A
SCHEMBL4781354 0.79 BRAF (0.42) KMT2AMEN1PABPC1SLC22A12CCR9
SCHEMBL3083474 0.76 DNMT1 (0.46) KMT2AMEN1LMNAALDH1A1CCR9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 WO claimed
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed