SCHEMBL30358964

SCHEMBL30358964

N#Cc1c(Cl)c2ccc(C(F)(F)F)cc2n(-c2ccccc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 5/20 0.48
▸ CTSK P43235 4/20 0.45
▸ G6PD P11413 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ TDP2 O95551 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL28978826 1.00 MAT2A (0.48) MAT2ACTSKG6PDTLR9TDP2
SCHEMBL26125895 0.86 MAT2A (0.48) MAT2ACTSKG6PDTLR9TDP2
SCHEMBL30608124 0.86 MAT2A (0.48) MAT2ACTSKG6PDTLR9TDP2
SCHEMBL28978808 0.86 MAT2A (0.48) MAT2ACTSKG6PDTLR9TDP2
SCHEMBL29417542 0.86 MAT2A (0.48) MAT2ACTSKG6PDTLR9TDP2
SCHEMBL30608076 0.84 MAPK8 (0.51) MAT2AKDM4ENPSR1MAPK8MAPK9
SCHEMBL26124606 0.84 MAPK8 (0.51) MAT2AKDM4ENPSR1MAPK8MAPK9
SCHEMBL8178799 0.81 KDM4E (0.46) ALDH1A1POLBKDM4ENPSR1MAPK8
SCHEMBL28978580 0.81 MAT2A (0.41) MAT2ACTSKALDH1A1POLBKDM4E
SCHEMBL28978830 0.81 CTSK (0.43) MAT2ACTSKTDP2ALDH1A1KDM4E

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
CN-115960099-A Aromatic ring or aryl heterocyclic pyridone compound, pharmaceutical composition and application thereof 上海凌达生物医药有限公司 2023-04-14 — — CN disclosed
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