SCHEMBL7256703

SCHEMBL7256703

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.70
▸ NPC1 O15118 4/20 0.70
▸ MEN1 O00255 6/20 0.67
▸ KMT2A Q03164 6/20 0.67
▸ GSTO1 P78417 1/20 0.66
▸ MAPT P10636 4/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ HPGD P15428 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ CSNK2A1 P68400 3/20 0.60
▸ AR P10275 1/20 0.59
▸ ELOVL1 Q9BW60 1/20 0.57
▸ CASP3 P42574 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ CSNK2A2 P19784 1/20 0.56
▸ CSNK2B P67870 1/20 0.56
▸ CSNK2A3 Q8NEV1 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.55
▸ MAOA P21397 1/20 0.55
▸ MAOB P27338 1/20 0.55

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
SCHEMBL1514632 0.90 RAB9A (0.67) RAB9ANPC1MEN1KMT2AGSTO1
SCHEMBL24026399 0.87 RAB9A (0.74) RAB9ANPC1MEN1KMT2AGSTO1
SCHEMBL30581066 0.87 RAB9A (0.78) RAB9ANPC1MEN1KMT2AGSTO1
SCHEMBL7253225 0.86 RAB9A (0.70) RAB9ANPC1MEN1KMT2AGSTO1
SCHEMBL225327 0.86 ELOVL1 (0.74) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL21484720 0.84 ABL1 (0.71) RAB9ANPC1MEN1KMT2AGSTO1
SCHEMBL7237268 0.81 RAB9A (0.79) RAB9ANPC1MEN1KMT2AGSTO1
SCHEMBL7239525 0.80 RAB9A (0.86) RAB9ANPC1MEN1KMT2AGSTO1
SCHEMBL7239062 0.80 RAB9A (1.00) RAB9ANPC1MEN1KMT2AGSTO1
SCHEMBL19497773 0.80 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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