SCHEMBL29975241

SCHEMBL29975241

CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(CNC(=O)C(=O)O)CCC[C@@]21C

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 12/20 0.79
▸ KARS1 Q15046 1/20 0.69
▸ HDAC3 O15379 1/20 0.66
▸ HDAC1 Q13547 1/20 0.66
▸ HDAC2 Q92769 1/20 0.66
▸ CYP3A4 P08684 2/20 0.66
▸ CYP2D6 P10635 2/20 0.66
▸ CYP2C19 P33261 2/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ PDK1 Q15118 1/20 0.66
▸ PDK2 Q15119 1/20 0.66
▸ PDK3 Q15120 1/20 0.66
▸ PDK4 Q16654 1/20 0.66
▸ CYP2C9 P11712 1/20 0.66
▸ TSHR P16473 1/20 0.66

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
SCHEMBL11817724 0.92 TDP1 (0.82) TDP1KARS1HDAC3HDAC1HDAC2
SCHEMBL9112314 0.90 TDP1 (0.82) TDP1KARS1HDAC3HDAC1HDAC2
SCHEMBL20856806 0.90 TDP1 (0.82) TDP1KARS1HDAC3HDAC1HDAC2
SCHEMBL9111830 0.88 TDP1 (0.79) TDP1KARS1HDAC3HDAC1HDAC2
SCHEMBL9107959 0.87 TDP1 (0.78) TDP1KARS1HDAC3HDAC1HDAC2
SCHEMBL30265927 0.87 TDP1 (0.72) TDP1KARS1HDAC3HDAC1HDAC2
SCHEMBL9109761 0.87 TDP1 (0.76) TDP1KARS1HDAC3HDAC1HDAC2
SCHEMBL20874417 0.87 TDP1 (0.76) TDP1KARS1HDAC3HDAC1HDAC2
SCHEMBL289598 0.85 MEN1 (0.77) TDP1KARS1CYP3A4CYP2D6CYP2C19
SCHEMBL20856804 0.85 KARS1 (0.76) TDP1KARS1CYP3A4CYP2D6CYP2C19

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-115385858-A Photocatalytic preparation method of 2-phenyl-2H-indazole-3-formamide compound 河南师范大学 2022-11-25 — — CN disclosed
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