SCHEMBL7667264

SCHEMBL7667264

CCCn1c(OCC2(C)CC2)nc2sc(Br)cc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PARG Q86W56 3/20 0.37
▸ ALDH1A1 P00352 4/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ BRD4 O60885 1/20 0.30
▸ KIF11 P52732 1/20 0.30

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
SCHEMBL7691943 0.94 PARG (0.36) PARGALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL194662 0.84 USP2 (0.47) ALDH1A1CYP1A2CYP2C9SMN1; SMN2NPC1
SCHEMBL7983018 0.83 USP2 (0.41) ALDH1A1CYP1A2CYP2C9SMN1; SMN2NPC1
SCHEMBL7966908 0.81 MEN1 (0.38) PARGALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL7685403 0.81 NPC1 (0.36) PARGALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL7670733 0.80 ADORA1 (0.34) ALDH1A1CYP1A2CYP2C9SMN1; SMN2USP2
SCHEMBL7966922 0.78 L3MBTL1 (0.38) ALDH1A1CYP1A2CYP2C9SMN1; SMN2NPC1
SCHEMBL7665277 0.78 PARG (0.50) PARGALDH1A1SMN1; SMN2
SCHEMBL7980691 0.77 MAPK1 (0.40) ALDH1A1CYP1A2CYP2C9SMN1; SMN2NPC1
SCHEMBL7685590 0.74 NPC1 (0.32) ALDH1A1CYP1A2CYP2C9SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441169-B1 PHENYL, THIENYL (INCLUDING ALL 3 ISOMERS), THIAZOLYL OR PYRIDYL PYRIMIDINES; PROTECTING PLANTS AGAINST DISEASES CAUSED BY FUNGI, BACTERIA OR VIRUSES SYNGENTA CROP PROTECTION, INC. 2002-08-27 — — US claimed
CN-1269793-A Pyrimidin-2-oxo-4-one and pyrimidin-2-oxo-4-thione derivatives NOVARTIS AG (CH) 2000-10-11 — — CN claimed
EP-1015435-A1 PYRIMIDIN-2-OXY-4-ONE AND PYRIMIDIN-2-OXY-4-THIONE DERIVATIVES Novartis AG (CH) 2000-07-05 — — EP claimed
WO-1999011631-A1 PYRIMIDIN-2-OXY-4-ONE AND PYRIMIDIN-2-OXY-4-THIONE DERIVATIVES NOVARTIS AG (CH) 1999-03-11 — — WO claimed
US-6441169-B1 PHENYL, THIENYL (INCLUDING ALL 3 ISOMERS), THIAZOLYL OR PYRIDYL PYRIMIDINES; PROTECTING PLANTS AGAINST DISEASES CAUSED BY FUNGI, BACTERIA OR VIRUSES SYNGENTA CROP PROTECTION, INC. 2002-08-27 — — US disclosed
CN-1269793-A Pyrimidin-2-oxo-4-one and pyrimidin-2-oxo-4-thione derivatives NOVARTIS AG (CH) 2000-10-11 — — CN disclosed
EP-1015435-A1 PYRIMIDIN-2-OXY-4-ONE AND PYRIMIDIN-2-OXY-4-THIONE DERIVATIVES Novartis AG (CH) 2000-07-05 — — EP disclosed
WO-1999011631-A1 PYRIMIDIN-2-OXY-4-ONE AND PYRIMIDIN-2-OXY-4-THIONE DERIVATIVES NOVARTIS AG (CH) 1999-03-11 — — WO disclosed
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