SCHEMBL11754579

SCHEMBL11754579

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 2/20 0.60
▸ MAPK14 Q16539 3/20 0.48
▸ TTR P02766 2/20 0.40
▸ ACHE P22303 1/20 0.40
▸ NOTUM Q6P988 1/20 0.39
▸ SRD5A2 P31213 2/20 0.38
▸ SRD5A1 P18405 1/20 0.38
▸ PTPRC P08575 2/20 0.36
▸ MITF O75030 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MIF P14174 1/20 0.35
▸ CHEK1 O14757 1/20 0.35

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
SCHEMBL8880119 0.87 AKR1B1 (0.66) AKR1B1MAPK14TTRACHENOTUM
SCHEMBL11663201 0.83 AKR1B1 (0.61) AKR1B1MAPK14TTRACHENOTUM
SCHEMBL11569877 0.83 AKR1B1 (0.61) AKR1B1MAPK14TTRACHENOTUM
SCHEMBL11562156 0.80 AKR1B1 (0.65) AKR1B1MAPK14TTRSRD5A2RAB9A
SCHEMBL2007673 0.80 AKR1B1 (0.57) AKR1B1MAPK14PTPRC
SCHEMBL11566471 0.80 AKR1B1 (0.60) AKR1B1MAPK14TTRACHENOTUM
SCHEMBL11565479 0.77 AKR1B1 (0.54) AKR1B1MAPK14TTRACHENOTUM
SCHEMBL11567137 0.76 AKR1B1 (0.56) AKR1B1MAPK14TTRACHENOTUM
SCHEMBL11832932 0.76 AKR1B1 (0.53) AKR1B1MAPK14TTRACHENOTUM
SCHEMBL11564660 0.76 AKR1B1 (0.56) AKR1B1MAPK14TTRACHENOTUM

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-4055574-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, MUSCLE RELAXANT SYNTEX (U.S.A.) INC. (US) 1977-10-25 — — US disclosed
Send feedback