SCHEMBL31139734

SCHEMBL31139734

CCC(=O)N1N=C(c2sccc2C)C[C@H]1c1ccc(OC)cc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.64
▸ KDM4E B2RXH2 4/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ GAA P10253 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ LMNA P02545 1/20 0.54

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
SCHEMBL31139725 1.00 KMT2A (0.64) KMT2AKDM4EMEN1ALDH1A1GAA
SCHEMBL31139845 1.00 KMT2A (0.64) KMT2AKDM4EMEN1ALDH1A1GAA
SCHEMBL31139741 0.87 MEN1 (0.58) KMT2AMEN1
SCHEMBL31139869 0.87 MEN1 (0.58) KMT2AMEN1
SCHEMBL31139766 0.87 MEN1 (0.58) KMT2AMEN1
SCHEMBL31139810 0.86 MEN1 (0.50) KMT2AKDM4EMEN1ALDH1A1
SCHEMBL31139813 0.86 KMT2A (0.48) KMT2AKDM4EMEN1ALDH1A1GAA
SCHEMBL31139834 0.84 MEN1 (0.55) KMT2AMEN1
SCHEMBL31139795 0.82 MEN1 (0.45) KMT2AKDM4EMEN1ALDH1A1
SCHEMBL31139808 0.81 MEN1 (0.49) KMT2AKDM4EMEN1ALDH1A1LMNA

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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