SCHEMBL25199337

SCHEMBL25199337

Cc1cc(C=O)nc(N2CC(N(C)C(=O)O)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
HCRTR1 O43613 14/20 0.38
HCRTR2 O43614 14/20 0.38
RBP4 P02753 3/20 0.37
TTR P02766 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL30427783 0.83 PDE10A (0.36) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL25188303 0.80 HRH3 (0.37) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL1990283 0.76 HRH3 (0.48)
SCHEMBL25182383 0.71 KDM4E (0.37) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL14574584 0.70 MAP4K4 (0.42)
SCHEMBL784646 0.67 CHRM4 (0.44)
SCHEMBL26646231 0.66 KIF18A (0.41) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL30600636 0.66 KIF18A (0.41) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL25201029 0.65 MAPT (0.50) HPGDMEN1ALDH1A1KMT2A
SCHEMBL30427515 0.65 MAPT (0.50) HPGDMEN1ALDH1A1KMT2A

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-2023090829-A1 LOW-MOLECULAR-WEIGHT COMPOUND FOR REGULATING MLL1-WDR5 INTERACTION AND USE THEREOF 엘젠테라퓨틱스 주식회사 2023-05-25 WO disclosed