SCHEMBL11112693

SCHEMBL11112693

COc1ccc(C(=O)N[C]=S)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.61
▸ CA2 P00918 4/20 0.61
▸ PLK1 P53350 1/20 0.61
▸ NPC1 O15118 4/20 0.58
▸ RAB9A P51151 4/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ TP53 P04637 2/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ GSK3B P49841 1/20 0.55
▸ F10 P00742 2/20 0.54
▸ CRHBP P24387 1/20 0.54
▸ CRHR2 Q13324 1/20 0.54
▸ CES2 O00748 1/20 0.53
▸ CES1 P23141 1/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ GAA P10253 2/20 0.53

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
SCHEMBL11665996 0.81 CA1 (0.61) CA1CA2PLK1NPC1RAB9A
SCHEMBL31196532 0.80 CA1 (0.59) CA1CA2PLK1NPC1RAB9A
SCHEMBL17099935 0.80 CA1 (0.59) CA1CA2PLK1NPC1RAB9A
SCHEMBL11705060 0.78 MAPT (0.79) CA1CA2PLK1NPC1RAB9A
SCHEMBL8717056 0.78 PLK1 (0.80) CA1CA2PLK1NPC1RAB9A
SCHEMBL837307 0.76 PLK1 (1.00) CA1CA2PLK1NPC1RAB9A
SCHEMBL942259 0.76 CA1 (1.00) CA1CA2PLK1NPC1RAB9A
SCHEMBL28932612 0.76 CA1 (0.57) CA1CA2PLK1NPC1RAB9A
SCHEMBL5803581 0.76 HDAC1 (0.60) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL8573562 0.75 CA1 (0.68) CA1CA2PLK1NPC1RAB9A

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
EP-0103445-A2 Process for production of prostaglandins E or F, and novel 7-(thiocarbo-acyloxy) prostaglandins E or F TEIJIN LIMITED (JP) 1984-03-21 — — EP disclosed
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