SCHEMBL7253225

SCHEMBL7253225

COC(=O)CC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.70
▸ NPC1 O15118 3/20 0.70
▸ MEN1 O00255 4/20 0.63
▸ KMT2A Q03164 4/20 0.63
▸ GSTO1 P78417 1/20 0.62
▸ CASP3 P42574 1/20 0.59
▸ SENP7 Q9BQF6 1/20 0.59
▸ AR P10275 1/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ HPGD P15428 1/20 0.58
▸ MAOA P21397 3/20 0.55
▸ MAOB P27338 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ APP P05067 1/20 0.55
▸ CSNK2A1 P68400 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ MAPK1 P28482 1/20 0.54

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
SCHEMBL24026399 0.86 RAB9A (0.74) RAB9ANPC1MEN1KMT2AGSTO1
SCHEMBL7256703 0.86 RAB9A (0.70) RAB9ANPC1MEN1KMT2AGSTO1
SCHEMBL1514632 0.82 RAB9A (0.67) RAB9ANPC1MEN1KMT2AGSTO1
SCHEMBL21484720 0.81 ABL1 (0.71) RAB9ANPC1MEN1KMT2AGSTO1
SCHEMBL30581066 0.81 RAB9A (0.78) RAB9ANPC1MEN1KMT2AGSTO1
SCHEMBL7235764 0.79 RAB9A (0.77) RAB9ANPC1MEN1KMT2AGSTO1
SCHEMBL7235879 0.77 RAB9A (0.64) RAB9ANPC1MEN1KMT2AGSTO1
SCHEMBL7229223 0.77 RAB9A (0.64) RAB9ANPC1MEN1KMT2AGSTO1
SCHEMBL7258047 0.77 RAB9A (0.70) RAB9ANPC1MEN1KMT2AGSTO1
SCHEMBL19497773 0.77 GSTO1 (1.00) RAB9ANPC1MEN1KMT2AGSTO1

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-2003006443-A2 2- 4-(NAPHTALIN-2-YL)-THIAZOL-2-YLAMINOCARBONYL BENZOIC ACID AND 2- 4-(NAPHTALIN-2-YL)-PYRIMIDIN-2-YLAMINOCARBONYL BENZOIC ACID AND ADDITIONAL COMPOUNDS SERVING AS TELOMERASE INHIBITORS FOR USE IN TUMOR THERAPY BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-01-23 — — WO disclosed
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