SCHEMBL7377802

SCHEMBL7377802

COC(=S)c1cc(-c2csc(Nc3cc(OC)ccc3OC)n2)c(C)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.61
MEN1 O00255 13/20 0.60
MAPT P10636 13/20 0.60
KMT2A Q03164 13/20 0.60
GAA P10253 11/20 0.60
MAPK1 P28482 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
ALDH1A1 P00352 7/20 0.59
HSD17B10 Q99714 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
KDM4E B2RXH2 8/20 0.58
HTT P42858 8/20 0.58
SMN1; SMN2 Q16637 8/20 0.58
LMNA P02545 5/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
ALOX12 P18054 2/20 0.58
TP53 P04637 1/20 0.58
POLB P06746 1/20 0.58
PKM P14618 1/20 0.58
ALOX15 P16050 1/20 0.58

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
Bromide SCHEMBL6920335 0.99 PLAU (0.60) PLAUMEN1MAPTKMT2AGAA
Bromide SCHEMBL7823820 0.92 PLAU (0.59) PLAUMEN1MAPTKMT2AGAA
Bromide SCHEMBL6921445 0.84 PLAU (0.61) PLAUMEN1MAPTKMT2AGAA
SCHEMBL6924845 0.82 KMT2A (0.55) PLAUMEN1MAPTKMT2AMAPK1
Bromide SCHEMBL6925948 0.82 PLAU (0.60) PLAUMEN1MAPTKMT2AGAA
SCHEMBL6925813 0.80 CYP1A1 (0.64) PLAUMEN1MAPTKMT2AGAA
Bromide SCHEMBL6925534 0.78 PLAU (0.56) PLAUMEN1MAPTKMT2AALDH1A1
Bromide SCHEMBL6926455 0.78 PLAU (0.56) PLAUMEN1MAPTKMT2AMAPK1
Bromide SCHEMBL6925168 0.78 PLAU (0.56) PLAUMEN1MAPTKMT2AMAPK1
Bromide SCHEMBL6926679 0.78 PLAU (0.58) PLAUMEN1MAPTKMT2AGAA

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
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 EP disclosed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed