SCHEMBL29514042

SCHEMBL29514042

N=C(N)NCCC[C@H](NC(CCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.58
▸ MEN1 O00255 1/20 0.51
▸ ABL1 P00519 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ IDE P14735 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ RIN1 Q13671 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ FOLH1 Q04609 3/20 0.51
▸ HLCS P50747 6/20 0.47
▸ CA12 O43570 3/20 0.46
▸ CA1 P00915 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ CAPN1 P07384 2/20 0.43

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
SCHEMBL31378126 0.88 TDP1 (0.66) TDP1MEN1ABL1LMNAPKM
SCHEMBL29521761 0.86 TDP1 (0.56) TDP1MEN1ABL1LMNAPKM
SCHEMBL5341777 0.82 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL10796017 0.82 TDP1 (0.76) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL21768378 0.82 TDP1 (0.76) TDP1MEN1ABL1LMNAPKM
SCHEMBL9241448 0.80 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL8578177 0.78 TDP1 (0.54) TDP1MEN1ABL1LMNAPKM
SCHEMBL8958855 0.78 TDP1 (0.62) TDP1MEN1ABL1LMNAPKM
SCHEMBL3962036 0.78 TDP1 (0.56) TDP1MEN1ABL1LMNAPKM
SCHEMBL1936659 0.78 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM

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-107406825-B Functional sex reversal in females of the decapod crustacean order 恩祖迪克控股有限公司 2022-04-08 — — CN disclosed
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