SCHEMBL25432833

SCHEMBL25432833

CCC(=O)N1N=C(c2c(C)c3cccnc3[nH]c2=O)CC1c1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ GLA P06280 2/20 0.52
▸ GAA P10253 2/20 0.52
▸ PKM P14618 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ RAD51 Q06609 4/20 0.51
▸ ATM Q13315 1/20 0.46
▸ GRIN2D O15399 1/20 0.46
▸ GRIN2C Q14957 1/20 0.46

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
SCHEMBL30590293 1.00 MEN1 (0.52) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL26064317 0.91 RAD51 (0.58) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL30590311 0.87 KDM4E (0.53) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL25432321 0.87 KDM4E (0.53) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL25371445 0.86 RAD51 (0.62) MEN1KMT2ARAD51GRIN2DGRIN2C
SCHEMBL31139739 0.86 RAD51 (0.62) MEN1KMT2ARAD51GRIN2DGRIN2C
SCHEMBL31139754 0.86 RAD51 (0.62) MEN1KMT2ARAD51GRIN2DGRIN2C
SCHEMBL25433017 0.86 RAD51 (0.62) MEN1KMT2ARAD51GRIN2DGRIN2C
SCHEMBL30590340 0.86 RAD51 (0.62) MEN1KMT2ARAD51GRIN2DGRIN2C
SCHEMBL26064259 0.86 RAD51 (0.62) MEN1KMT2ARAD51GRIN2DGRIN2C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023161782-A1 NOVEL BICYCLIC COMPOUNDS AS RAD51 INHIBITORS SATYARX PHARMA INNOVATIONS PVT LTD (IN) 2023-08-31 — — WO claimed
WO-2023161782-A1 NOVEL BICYCLIC COMPOUNDS AS RAD51 INHIBITORS SATYARX PHARMA INNOVATIONS PVT LTD (IN) 2023-08-31 — — WO disclosed
WO-2023161782-A1 NOVEL BICYCLIC COMPOUNDS AS RAD51 INHIBITORS SATYARX PHARMA INNOVATIONS PVT LTD (IN) 2023-08-31 — — WO disclosed
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