SCHEMBL30451535

SCHEMBL30451535

O=c1[nH]nc(C(F)F)c2cc(C(F)(F)F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ PARP1 P09874 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PRMT5 O14744 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41
▸ AURKB Q96GD4 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ JUN P05412 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ MAP2K4 P45985 3/20 0.38
▸ MAPK6 Q16659 3/20 0.38
▸ MAPKAPK3 Q16644 2/20 0.38

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
SCHEMBL26732593 1.00 MAPT (0.45) MAPTPARP1SMN1; SMN2PRMT5WDR77
SCHEMBL29426569 0.87 MAPT (0.44) MAPTPARP1SMN1; SMN2PRMT5WDR77
SCHEMBL24076896 0.87 MAPT (0.44) MAPTPARP1SMN1; SMN2PRMT5WDR77
SCHEMBL29426515 0.81 PARP1 (0.42) MAPTPARP1SMN1; SMN2PRMT5WDR77
SCHEMBL26732910 0.81 PARP1 (0.42) MAPTPARP1SMN1; SMN2PRMT5WDR77
SCHEMBL26732624 0.78 PRMT5 (0.43) PRMT5WDR77AURKBROCK1
SCHEMBL24076862 0.78 MAPT (0.47) MAPTPARP1SMN1; SMN2PRMT5WDR77
SCHEMBL24076281 0.75 POLB (0.40) MAPTSMN1; SMN2PRMT5WDR77PDE2A
SCHEMBL24076899 0.75 MAPT (0.53) MAPTPARP1SMN1; SMN2PRMT5WDR77
SCHEMBL31014304 0.75 ATM (0.61) MAPTSMN1; SMN2PRMT5AURKBHSD17B10

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-116261456-A Compounds, compositions, and methods 戴纳立制药公司 2023-06-13 — — CN disclosed
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