SCHEMBL31285938

SCHEMBL31285938

CC(C)(C)c1ccc(CC(=O)N2CCC(Nc3ccccc3N)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.45
▸ MLNR O43193 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PANK3 Q9H999 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CCR8 P51685 1/20 0.42

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
SCHEMBL22588324 1.00 KDM1A (0.45) KDM1AMLNRMEN1KMT2AL3MBTL1
SCHEMBL22588174 0.89 MLNR (0.53) KDM1AMLNRPOLB
SCHEMBL31285937 0.89 MLNR (0.53) KDM1AMLNRPOLB
SCHEMBL22605502 0.85 HRH3 (0.51) KDM1AMLNRL3MBTL1PANK3POLB
SCHEMBL22605881 0.83 MAPK1 (0.53) MLNRMEN1KMT2AKDM4EGAA
SCHEMBL22605523 0.83 MLNR (0.52) MLNRMEN1KMT2A
SCHEMBL22605825 0.78 MLNR (0.53) MLNRMEN1KMT2A
SCHEMBL22605589 0.77 MLNR (0.54) MLNRMEN1KMT2APOLB
SCHEMBL22588179 0.77 MLNR (0.54) MLNRPOLB
SCHEMBL22587771 0.77 MLNR (0.52) MLNRL3MBTL1POLB

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-111848598-B Heterocyclic compound, application thereof and composition containing same 健艾仕生物医药有限公司 2024-12-10 — — CN disclosed
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