SCHEMBL31139805

SCHEMBL31139805

CCC(=O)N1N=C(c2sccc2C)CC1c1cnc(C)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KIF11 P52732 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL31139831 0.91 MEN1 (0.45) KMT2AMEN1KDM4E
SCHEMBL31139868 0.88 MEN1 (0.43) KMT2AMEN1KDM4EALDH1A1
SCHEMBL31139849 0.83 MEN1 (0.48) KMT2AMEN1KIF11
SCHEMBL31139760 0.82 MEN1 (0.46) KMT2AMEN1KIF11KDM4E
SCHEMBL25434187 0.81 RAD51 (0.43) KMT2AMEN1KIF11KDM4EALDH1A1
SCHEMBL31139741 0.80 MEN1 (0.58) KMT2AMEN1
SCHEMBL31139869 0.80 MEN1 (0.58) KMT2AMEN1
SCHEMBL31139766 0.80 MEN1 (0.58) KMT2AMEN1
SCHEMBL31139767 0.78 MEN1 (0.49) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL31139723 0.78 MEN1 (0.49) KMT2AMEN1KDM4EALDH1A1GAA

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-118696034-A Novel bicyclic compounds as RAD51 inhibitors 萨提亚疗法股份有限公司 2024-09-24 — — CN disclosed
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