SCHEMBL31139831

SCHEMBL31139831

CCC(=O)N1N=C(c2sccc2C)CC1c1cnc(C)cc1C

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ TERT O14746 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
SCHEMBL31139805 0.91 KMT2A (0.43) MEN1KMT2AKDM4E
SCHEMBL31139868 0.90 MEN1 (0.43) MEN1KMT2AKDM4E
SCHEMBL31139750 0.82 MEN1 (0.48) MEN1KMT2AKDM4ETERT
SCHEMBL25430277 0.81 RAD51 (0.41) MEN1KMT2AKDM4ETERT
SCHEMBL31139767 0.81 MEN1 (0.49) MEN1KMT2AKDM4E
SCHEMBL31139723 0.81 MEN1 (0.49) MEN1KMT2AKDM4E
SCHEMBL31139808 0.80 MEN1 (0.49) MEN1KMT2AKDM4E
SCHEMBL31139797 0.79 MEN1 (0.47) MEN1KMT2AKDM4ETERT
SCHEMBL31139741 0.78 MEN1 (0.58) MEN1KMT2A
SCHEMBL31139869 0.78 MEN1 (0.58) MEN1KMT2A

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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