SCHEMBL30845798

SCHEMBL30845798

CC(C)c1ccc2nc(C(N)=O)cn2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.44
SCN10A Q9Y5Y9 1/20 0.42
EGLN1 Q9GZT9 5/20 0.40
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
METTL3 Q86U44 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
CLK1 P49759 2/20 0.36
DYRK1A Q13627 2/20 0.36
MCHR1 Q99705 1/20 0.35
ESRRA P11474 1/20 0.35
KIF11 P52732 1/20 0.34

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
SCHEMBL3368294 0.86 PTGS1 (0.53) SCN10AEGLN1HRH4HRH3PTGS1
SCHEMBL8065354 0.80 TGFBR1 (0.50) TGFBR1EGLN1HRH4HRH3PTGS1
SCHEMBL3540082 0.80 KDM4E (0.61) CYP1A2MAPTKDM4EPOLB
SCHEMBL3546113 0.80 KDM4E (0.61) CYP1A2MAPTKDM4EPOLB
SCHEMBL16104299 0.77 CLK1 (0.55) TGFBR1EGLN1HRH4HRH3PTGS1
SCHEMBL17512464 0.77 TGFBR1 (0.44) TGFBR1EGLN1HRH4HRH3PTGS1
SCHEMBL30845741 0.77 EGLN1 (0.52) TGFBR1EGLN1HRH4HRH3PTGS1
SCHEMBL3366176 0.76 NPC1 (0.64) EGLN1CYP1A2CYP3A4MAPTKDM4E
SCHEMBL3764713 0.76 HRH4 (0.57) TGFBR1EGLN1HRH4HRH3MAPT
SCHEMBL29540016 0.76 PIK3CG (0.56) TGFBR1EGLN1PTGS1PTGS2METTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111542523-B Heterocyclic compounds as PRMT5 inhibitors 朱比连特埃皮斯科瑞有限责任公司 2024-03-29 CN claimed
CN-111542523-B Heterocyclic compounds as PRMT5 inhibitors 朱比连特埃皮斯科瑞有限责任公司 2024-03-29 CN disclosed