SCHEMBL5818769

SCHEMBL5818769

O=C(NC(=S)Nc1ccc2[nH]ncc2c1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 11/20 1.00
▸ RAB9A P51151 11/20 1.00
▸ ALDH1A1 P00352 7/20 1.00
▸ MAPT P10636 3/20 1.00
▸ HPGD P15428 2/20 1.00
▸ ALOX12 P18054 2/20 1.00
▸ SMN1; SMN2 Q16637 4/20 0.82
▸ JAK2 O60674 2/20 0.77
▸ MEN1 O00255 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ ROCK2 O75116 3/20 0.63
▸ ROCK1 Q13464 3/20 0.63
▸ MAP4K4 O95819 2/20 0.59
▸ RPS6KB1 P23443 2/20 0.59
▸ CLK2 P49760 2/20 0.59
▸ DYRK1A Q13627 2/20 0.59
▸ CLK4 Q9HAZ1 2/20 0.59
▸ PRKD3 O94806 1/20 0.59
▸ PRKG1 Q13976 1/20 0.59
▸ PRKD2 Q9BZL6 1/20 0.59

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
SCHEMBL3380296 0.87 NPC1 (1.00) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL1122533 0.80 NPC1 (0.76) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL5713502 0.79 NPC1 (0.72) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL15147870 0.78 ROCK2 (1.00) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL9348553 0.78 NPC1 (0.72) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL6816783 0.78 RAB9A (0.63) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL1163706 0.77 ROCK2 (0.74) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL6814633 0.77 RAB9A (0.71) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL24933989 0.77 NPC1 (0.71) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL3378320 0.77 RAB9A (0.80) NPC1RAB9AALDH1A1MAPTHPGD

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
WO-2006135383-A2 INDAZOLES MYRIAD GENETICS, INC. (US) 2006-12-21 — — WO disclosed
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