SCHEMBL9309788

SCHEMBL9309788

O=C(OCCNC(=S)C(=S)NCCOC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
LMNA P02545 1/20 0.56
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
KMT2A Q03164 3/20 0.49
MAPK1 P28482 1/20 0.49
HIF1A Q16665 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45

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
SCHEMBL7603207 0.86 TDP1 (0.63) TDP1LMNAALDH1A1HPGDNPSR1
SCHEMBL13100724 0.84 HPGD (0.74) TDP1LMNAALDH1A1HPGDNPSR1
SCHEMBL16248438 0.83 LMNA (0.61) TDP1LMNAALDH1A1HPGDNPSR1
SCHEMBL1526930 0.83 TDP1 (0.59) TDP1LMNAALDH1A1HPGDNPSR1
SCHEMBL28554560 0.81 TDP1 (0.58) TDP1LMNAALDH1A1HPGDNPSR1
SCHEMBL6408925 0.80 TDP1 (0.56) TDP1LMNAALDH1A1HPGDNPSR1
SCHEMBL28322559 0.80 LMNA (0.62) TDP1LMNAALDH1A1HPGDNPSR1
SCHEMBL137486 0.79 TDP1 (0.83) TDP1LMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL31570089 0.79 LMNA (0.56) TDP1LMNAALDH1A1HPGDNPSR1
SCHEMBL7185156 0.79 LMNA (0.60) TDP1LMNAALDH1A1HPGDNPSR1

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-5376451-A Aromatic substituted compounds capable of forming coordination compounds with transition metal salts; used in pressure sensitive carbonless copy-papers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-12-27 US disclosed
EP-0531020-A1 Ethanediimidic acid bis arylalkylidene)hydrazide MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-03-10 EP disclosed