SCHEMBL8709018

SCHEMBL8709018

C=C1SC(=S)N(c2cc(OCC)c(O)c(-c3ccccc3SC)c2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.35
GAA P10253 6/20 0.35
ALDH1A1 P00352 6/20 0.35
MAPT P10636 5/20 0.35
TDP1 Q9NUW8 3/20 0.35
KDM4E B2RXH2 3/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
KLK7 P49862 1/20 0.35
KLK14 Q9P0G3 1/20 0.35
KLK5 Q9Y337 1/20 0.35
MEN1 O00255 6/20 0.34
POLB P06746 3/20 0.34
MAPK1 P28482 2/20 0.33
RECQL P46063 2/20 0.33
NPC1 O15118 1/20 0.33
THRB P10828 1/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL8584346 0.82 KMT2A (0.37) KMT2AGAAALDH1A1MAPTTDP1
SCHEMBL8583282 0.82 PTPN1 (0.33)
SCHEMBL8709022 0.78 FABP4 (0.34) KMT2AGAAALDH1A1MAPTTDP1
SCHEMBL8310604 0.74 MAPT (0.56) KMT2AGAAALDH1A1MAPTTDP1
SCHEMBL8310599 0.74 MAPT (0.56) KMT2AGAAALDH1A1MAPTTDP1
SCHEMBL8991958 0.72 KMT2A (0.46) KMT2AGAAALDH1A1MAPTTDP1
SCHEMBL8933459 0.72 KMT2A (0.46) KMT2AGAAALDH1A1MAPTTDP1
SCHEMBL8986231 0.72 KMT2A (0.46) KMT2AGAAALDH1A1MAPTTDP1
SCHEMBL8309496 0.71 FABP4 (0.55) KMT2AGAAMAPTMEN1POLB
SCHEMBL20006030 0.70 ALDH1A1 (0.42) KMT2AGAAALDH1A1MAPTTDP1

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
US-5716975-A NONTOXIC RHODANINE DERIVATIVES; ANTIDIABETIC AGENTS, CATHEPSIN D INHIBITORS, B-AMYLOID PROTEIN REDUCTION ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed