SCHEMBL7470030

SCHEMBL7470030

O=C(COc1ccccc1)Nc1nccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 1.00
▸ NPC1 O15118 10/20 1.00
▸ SMN1; SMN2 Q16637 6/20 1.00
▸ TP53 P04637 5/20 1.00
▸ HPGD P15428 3/20 1.00
▸ THRB P10828 1/20 1.00
▸ PKM P14618 3/20 0.75
▸ L3MBTL1 Q9Y468 2/20 0.75
▸ CDK5 Q00535 1/20 0.75
▸ CDK5R1 Q15078 1/20 0.75
▸ ALOX15 P16050 1/20 0.75
▸ ALDH1A1 P00352 4/20 0.74
▸ MEN1 O00255 2/20 0.74
▸ KMT2A Q03164 2/20 0.74
▸ MAPT P10636 2/20 0.74
▸ NFKB1 P19838 1/20 0.74
▸ NFKB2 Q00653 1/20 0.74
▸ RELA Q04206 1/20 0.74
▸ GAA P10253 1/20 0.61
▸ KCNA5 P22460 1/20 0.61

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
SCHEMBL12443640 0.86 NPC1 (1.00) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL2683107 0.86 NPC1 (0.76) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL3409592 0.86 NPC1 (1.00) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL21533450 0.85 ALDH1A1 (1.00) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL15330952 0.83 NPC1 (0.72) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL5443581 0.81 NPC1 (0.77) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL15116296 0.81 PKM (0.74) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL5450261 0.80 NPC1 (0.67) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL4687548 0.79 FFAR2 (0.74) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL145495 0.79 RAB9A (0.65) RAB9ANPC1SMN1; SMN2TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125735-B1 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2012-06-27 — — EP disclosed
EP-0871619-B1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMA (US) 2002-11-06 — — EP disclosed
US-6057451-A AMINOTHIAZOLE DERIVATIVES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-05-02 — — US disclosed
CN-1207094-A Phenyl thiazole derivatives with anti herpes virus properties BOEHRINGER INGELHEIM PHARMA (US) 1999-02-03 — — CN disclosed
EP-0871619-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1998-10-21 — — EP disclosed
WO-1997024343-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-07-10 — — WO disclosed
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