SCHEMBL8880119

SCHEMBL8880119

O=C(O)c1ccc2c(c1)SCc1ccccc1C2=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.66
▸ TTR P02766 2/20 0.55
▸ MAPK14 Q16539 1/20 0.52
▸ SRD5A2 P31213 2/20 0.51
▸ SRD5A1 P18405 1/20 0.51
▸ PTPRC P08575 2/20 0.50
▸ CHEK1 O14757 1/20 0.47
▸ NOTUM Q6P988 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ FOLH1 Q04609 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CDC25A P30304 1/20 0.40
▸ CDC25B P30305 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40

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
SCHEMBL11569877 0.87 AKR1B1 (0.61) AKR1B1TTRMAPK14SRD5A2SRD5A1
SCHEMBL11663201 0.87 AKR1B1 (0.61) AKR1B1TTRMAPK14NOTUMKMT2A
SCHEMBL11754579 0.87 AKR1B1 (0.60) AKR1B1TTRMAPK14SRD5A2SRD5A1
SCHEMBL86351 0.86 TTR (0.55) AKR1B1TTRSRD5A2SRD5A1PTPRC
SCHEMBL11562156 0.84 AKR1B1 (0.65) AKR1B1TTRMAPK14SRD5A2LMNA
SCHEMBL2007673 0.84 AKR1B1 (0.57) AKR1B1MAPK14PTPRCPOLBLMNA
SCHEMBL11566471 0.84 AKR1B1 (0.60) AKR1B1TTRMAPK14SRD5A2SRD5A1
SCHEMBL11658676 0.83 SRD5A2 (0.55) AKR1B1TTRSRD5A2SRD5A1PTPRC
SCHEMBL11565479 0.81 AKR1B1 (0.54) AKR1B1TTRMAPK14SRD5A2SRD5A1
SCHEMBL11567137 0.80 AKR1B1 (0.56) AKR1B1TTRMAPK14SRD5A2NOTUM

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-5607955-A TREATMENT OF HYPERTENSION, CONGESTIVE HEART FAILURE, RENAL FAILURE AND GLAUCOMA KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-03-04 — — US disclosed
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