SCHEMBL7980392

SCHEMBL7980392

CCCOc1nc2sc(Br)cc2c(=O)n1CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PDE5A O76074 5/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TSHR P16473 3/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KIF11 P52732 1/20 0.33

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
SCHEMBL7980723 0.94 PDE5A (0.39) SMN1; SMN2NPC1RAB9APDE5ATSHR
SCHEMBL7978890 0.91 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9APDE5ATSHR
SCHEMBL194662 0.87 USP2 (0.47) SMN1; SMN2NPC1RAB9AMAPK1USP2
SCHEMBL7966894 0.86 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9APDE5AMAPK1
SCHEMBL7980691 0.85 MAPK1 (0.40) SMN1; SMN2NPC1RAB9AMAPK1USP2
SCHEMBL7966908 0.81 MEN1 (0.38) SMN1; SMN2NPC1RAB9APDE5AUSP2
SCHEMBL7966922 0.81 L3MBTL1 (0.38) SMN1; SMN2NPC1RAB9AMAPK1USP2
SCHEMBL7983018 0.81 USP2 (0.41) SMN1; SMN2NPC1RAB9AMAPK1USP2
SCHEMBL7980615 0.81 PDE5A (0.39) SMN1; SMN2NPC1RAB9APDE5ATSHR
SCHEMBL7977486 0.76 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9APDE5ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1213373-A Pyrimidin-4-one-derivatives as pesticide NOVARTIS AG (CH) 1999-04-07 — — CN claimed
EP-0888359-A1 PYRIMIDIN-4-ONE DERIVATIVES AS PESTICIDE Novartis AG (CH) 1999-01-07 — — EP claimed
WO-1997033890-A1 PYRIMIDIN-4-ONE DERIVATIVES AS PESTICIDE NOVARTIS AG (CH) 1997-09-18 — — WO claimed
US-6262058-B1 Pyrimidin-4-one derivatives as pesticide SYNGENTA CROP PROTECTION, INC. 2001-07-17 — — US disclosed
CN-1213373-A Pyrimidin-4-one-derivatives as pesticide NOVARTIS AG (CH) 1999-04-07 — — CN disclosed
EP-0888359-A1 PYRIMIDIN-4-ONE DERIVATIVES AS PESTICIDE Novartis AG (CH) 1999-01-07 — — EP disclosed
WO-1997033890-A1 PYRIMIDIN-4-ONE DERIVATIVES AS PESTICIDE NOVARTIS AG (CH) 1997-09-18 — — WO disclosed
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