SCHEMBL31139767

SCHEMBL31139767

CCC(=O)N1N=C(c2sccc2C)C[C@@H]1c1ccc(C)cc1F

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL31139723 1.00 MEN1 (0.49) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL31139720 0.83 MEN1 (0.53) MEN1KMT2AKDM4E
SCHEMBL31139831 0.81 MEN1 (0.45) MEN1KMT2AKDM4E
SCHEMBL31139828 0.80 MEN1 (0.48) MEN1KMT2A
SCHEMBL25432457 0.80 KDM4E (0.43) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL25432232 0.80 KDM4E (0.43) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL25371280 0.80 KDM4E (0.43) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL31139808 0.79 MEN1 (0.49) MEN1KMT2AKDM4EALDH1A1
SCHEMBL31139805 0.78 KMT2A (0.43) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL31139797 0.78 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1

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 claimed
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