SCHEMBL9836061

SCHEMBL9836061

O=C1Cc2ccc(C(=O)c3cccs3)cc2N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 1/20 0.49
▸ JAK3 P52333 5/20 0.48
▸ HPGD P15428 3/20 0.48
▸ CRBN Q96SW2 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ HPGDS O60760 1/20 0.47
▸ PDK2 Q15119 1/20 0.46
▸ CMA1 P23946 2/20 0.45
▸ AHR P35869 2/20 0.45
▸ EIF2AK2 P19525 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ PTGS2 P35354 1/20 0.43

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
SCHEMBL9833998 0.90 JAK3 (0.50) SMYD3JAK3HPGDNPC1TP53
SCHEMBL9835168 0.80 HPGDS (0.44) JAK3HPGDNPC1TP53RAB9A
SCHEMBL7679044 0.80 SMYD3 (0.53) SMYD3CRBNPDK2CMA1AHR
SCHEMBL9834747 0.79 PTGS1 (0.46) SMYD3JAK3HPGDNPC1TP53
SCHEMBL9834169 0.78 SMYD3 (0.49) SMYD3CRBNPDK2CMA1AHR
SCHEMBL3573876 0.77 SMYD3 (0.56) SMYD3CRBNPDK2CMA1AHR
SCHEMBL3581639 0.76 TDP2 (0.55) SMYD3CRBNPDK2CMA1AHR
SCHEMBL398818 0.76 TDP2 (0.66) SMYD3CRBNHTTPDK2CMA1
SCHEMBL29713338 0.76 TDP2 (0.66) SMYD3CRBNHTTPDK2CMA1
SCHEMBL3194345 0.76 SMYD3 (0.58) SMYD3CRBNPDK2CMA1AHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0208510-B1 1-SUBSTITUTED OXINDOLE-3-CARBOXAMINES AS ANTIINFLAMMATORY AND ANALGESIC AGENTS PFIZER INC. (US) 1991-09-11 — — EP disclosed
US-4791129-A RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS PFIZER INC. (US) 1988-12-13 — — US disclosed
US-4725616-A ANTIARTHRITIC AGENTS PFIZER INC. (US) 1988-02-16 — — US disclosed
EP-0208510-A2 1-Substituted oxindole-3-carboxamines as antiinflammatory and analgesic agents PFIZER INC. (US) 1987-01-14 — — EP disclosed
CN-86105309-A Oxindole-3-carbonyl amines the compound that replaces as the 1-of anti-inflammatory and anodyne — 1987-01-14 — — CN disclosed
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