SCHEMBL29426515

SCHEMBL29426515

CC(C)c1n[nH]c(=O)c2cc(C(F)(F)F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ PDE2A O00408 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ AURKB Q96GD4 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ MAP2K4 P45985 2/20 0.37
▸ MAPKAPK3 Q16644 2/20 0.37
▸ MAPK6 Q16659 2/20 0.37
▸ MAPKAPK2 P49137 1/20 0.37
▸ TRPA1 O75762 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
SCHEMBL26732910 1.00 PARP1 (0.42) PARP1POLBMAPTPDE2ASMN1; SMN2
SCHEMBL24076896 0.94 MAPT (0.44) PARP1POLBMAPTPDE2ASMN1; SMN2
SCHEMBL29426569 0.94 MAPT (0.44) PARP1POLBMAPTPDE2ASMN1; SMN2
SCHEMBL24076281 0.83 POLB (0.40) POLBMAPTPDE2ASMN1; SMN2PRMT5
SCHEMBL24076279 0.81 POLB (0.42) POLBMAPTSMN1; SMN2NOTUMPRMT5
SCHEMBL30451535 0.81 MAPT (0.45) PARP1MAPTPDE2ASMN1; SMN2HSD17B10
SCHEMBL26732593 0.81 MAPT (0.45) PARP1MAPTPDE2ASMN1; SMN2HSD17B10
SCHEMBL29875057 0.80 POLB (0.44) PARP1POLBMAPTTSHR
SCHEMBL15723643 0.80 MAP2K4 (0.52) GSK3BKDM4EMAPK1MAP2K4MAPKAPK3
SCHEMBL16675888 0.80 TRPA1 (0.51) MAPTHSD17B10GSK3BMAPK1MAP2K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4196125-A1 COMPOUNDS, COMPOSITIONS AND METHODS Denali Therapeutics Inc. (US) 2023-06-21 — — EP disclosed
CN-116261456-A Compounds, compositions, and methods 戴纳立制药公司 2023-06-13 — — CN disclosed
WO-2022036204-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2022-02-17 — — WO disclosed
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