SCHEMBL7978890

SCHEMBL7978890

CCOc1nc2sc(Br)cc2c(=O)n1CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PDE5A O76074 1/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ TSHR P16473 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ ADORA2B P29275 2/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL7980392 0.91 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9APDE5AALDH1A1
SCHEMBL7980723 0.90 PDE5A (0.39) SMN1; SMN2NPC1RAB9APDE5AALDH1A1
SCHEMBL7977486 0.85 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9APDE5AALDH1A1
SCHEMBL7966908 0.81 MEN1 (0.38) SMN1; SMN2NPC1RAB9APDE5AALDH1A1
SCHEMBL194662 0.77 USP2 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1TSHR
SCHEMBL7966894 0.76 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9APDE5AALDH1A1
SCHEMBL7966922 0.76 L3MBTL1 (0.38) SMN1; SMN2NPC1RAB9AALDH1A1TSHR
SCHEMBL7980615 0.75 PDE5A (0.39) SMN1; SMN2NPC1RAB9APDE5AALDH1A1
SCHEMBL7667264 0.71 PARG (0.37) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL7670733 0.71 ADORA1 (0.34) SMN1; SMN2ALDH1A1CYP1A2CYP2C9ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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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