SCHEMBL6822894

SCHEMBL6822894

O=S(=O)(NCc1ccccc1)c1ccc2[nH]c3c(Cl)ncnc3c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.55
LMNA P02545 3/20 0.52
MAPT P10636 3/20 0.52
TP53 P04637 2/20 0.52
KDM4E B2RXH2 3/20 0.49
PKM P14618 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
SLC12A2 P55011 1/20 0.49
SLC12A5 Q9H2X9 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 2/20 0.48
VCAM1 P19320 1/20 0.47
THRB P10828 1/20 0.47
PTPN11 Q06124 2/20 0.46
EGFR P00533 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
GLA P06280 1/20 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
SCHEMBL6828569 0.84 BRAF (0.54) POLBLMNAMAPTTP53KDM4E
SCHEMBL6828688 0.78 KDM4E (0.62) POLBLMNAMAPTKDM4EALDH1A1
SCHEMBL6826630 0.77 KDM4E (0.60) POLBLMNAMAPTKDM4EALDH1A1
SCHEMBL6828620 0.73 ABCC1 (0.72) LMNAMAPTKDM4EALDH1A1KMT2A
SCHEMBL12633842 0.71 POLB (1.00) POLBLMNAMAPTTP53PKM
SCHEMBL6826652 0.71 ABCB1 (0.54) POLBLMNAMAPTKDM4EALDH1A1
SCHEMBL17396514 0.69 KDM4E (0.72) POLBLMNAMAPTTP53KDM4E
SCHEMBL31219113 0.69 KDM4E (0.72) POLBLMNAMAPTTP53KDM4E
SCHEMBL30961823 0.69 KDM4E (0.63) POLBLMNAMAPTTP53KDM4E
SCHEMBL6254106 0.69 LIMK1 (0.65) POLBLMNAMAPTKDM4EALDH1A1

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
WO-2004111052-A1 PYRROLOPYRIMIDINE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE (MDR) XENOVA LIMITED (GB) 2004-12-23 WO disclosed