SCHEMBL29953907

SCHEMBL29953907

CCC(C)n1nc(-c2ccccc2)c(C=O)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
RECQL P46063 2/20 0.42
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 2/20 0.37
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PTGS2 P35354 1/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 3/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GPR35 Q9HC97 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL29957715 0.88 KDM4E (0.43) KDM4ERECQLMAPTL3MBTL1KMT2A
SCHEMBL29952778 0.86 RECQL (0.42) KDM4ERECQLMAPTL3MBTL1KMT2A
SCHEMBL15329817 0.79 RECQL (0.37) KDM4ERECQLMAPTL3MBTL1KMT2A
SCHEMBL29957444 0.77 MEN1 (0.44) KDM4ERECQLMAPTL3MBTL1KMT2A
SCHEMBL2559921 0.77 RECQL (0.44) KDM4ERECQLMAPTKMT2ALMNA
SCHEMBL15330763 0.77 RECQL (0.40) RECQLMAPTL3MBTL1KMT2ALMNA
SCHEMBL2076094 0.75 RECQL (0.53) RECQLMAPTKMT2ALMNASMN1; SMN2
SCHEMBL29951688 0.75 SMN1; SMN2 (0.33) MAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL29950537 0.75 MEN1 (0.47) RECQLMAPTKMT2ALMNASMN1; SMN2
SCHEMBL15331029 0.75 RECQL (0.41) RECQLMAPTL3MBTL1KMT2ALMNA

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed