SCHEMBL22013210

SCHEMBL22013210

COC(=O)CNC(=O)CCC(N)N

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.62
TET2 Q6N021 1/20 0.44
GAA P10253 3/20 0.42
TSHR P16473 3/20 0.39
BIRC2 Q13490 1/20 0.39
SLC1A1 P43005 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 2/20 0.35
EPHX2 P34913 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL4957134 0.79
SCHEMBL18753028 0.78 RECQL (0.69) RECQLTET2GAATSHRALDH1A1
SCHEMBL22345240 0.78 RECQL (0.69) RECQLTET2GAATSHRALDH1A1
SCHEMBL29648539 0.77 RECQL (0.75) RECQLTET2GAATSHRALDH1A1
SCHEMBL810809 0.75 RECQL (0.72) RECQLTET2GAATSHRBIRC2
SCHEMBL22014058 0.75 FAAH (0.48) ALDH1A1
SCHEMBL18671699 0.75 RECQL (0.55) RECQLTET2GAATSHRBIRC2
SCHEMBL23085256 0.74 RECQL (0.83) RECQLTET2GAATSHRALDH1A1
SCHEMBL9560019 0.74 RECQL (0.69) RECQLTET2GAATSHRBIRC2
SCHEMBL23135463 0.74 RECQL (0.69) RECQLTET2GAATSHRBIRC2

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
WO-2020099596-A1 NOVEL PATHWAY FOR THE SYNTHESIS OF DIAZIRINES, THAT MAY OR MAY NOT BE ENRICHED IN NITROGEN-15 UNIVERSITE DE ROUEN NORMANDIE (FR) 2020-05-22 WO disclosed