SCHEMBL3688773

SCHEMBL3688773

[Zn].c1ccc2[nH]c(SSc3nc4ccccc4[nH]3)nc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXN P10599 2/20 0.70
BCHE P06276 1/20 0.66
POLB P06746 3/20 0.61
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
RAB9A P51151 5/20 0.58
NPC1 O15118 4/20 0.58
EPHX2 P34913 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.56
AR P10275 1/20 0.56
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 2/20 0.56
TP53 P04637 2/20 0.56
HSD17B10 Q99714 2/20 0.56
ABCB11 O95342 1/20 0.56
PKM P14618 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPT P10636 1/20 0.54
STAT3 P40763 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL31019381 1.00 TXN (0.70) TXNBCHEPOLBKMT2AMEN1
SCHEMBL159798 0.98 TXN (0.72) TXNBCHEPOLBKMT2AMEN1
SCHEMBL3792726 0.84 BCHE (0.68) TXNBCHEPOLBKMT2AMEN1
SCHEMBL11823551 0.84 TXN (0.75) TXNBCHEPOLBKMT2AMEN1
SCHEMBL29458312 0.83 POLB (0.62) TXNBCHEPOLBKMT2AMEN1
SCHEMBL111843 0.83 POLB (0.62) TXNBCHEPOLBKMT2AMEN1
SCHEMBL14406847 0.83 TXN (1.00) TXNBCHEPOLBKMT2AMEN1
SCHEMBL10352132 0.81 POLB (0.70) TXNBCHEPOLBKMT2AMEN1
SCHEMBL11307167 0.81 TXN (1.00) TXNBCHEPOLBKMT2AMEN1
SCHEMBL374735 0.81 POLB (0.65) TXNBCHEPOLBKMT2AMEN1

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
US-8287631-B2 Compounds for preventing ghost odour THOR GMBH (DE) 2012-10-16 US disclosed
US-20100186631-A1 Compounds for preventing ghost odour THOR GMBH (DE) 2010-07-29 US disclosed