SCHEMBL29957715

SCHEMBL29957715

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
RECQL P46063 2/20 0.43
MAPT P10636 3/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PTGS2 P35354 1/20 0.35
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 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
SCHEMBL29953907 0.88 KDM4E (0.43) KDM4ERECQLMAPTLMNASMN1; SMN2
SCHEMBL29952778 0.84 RECQL (0.42) KDM4ERECQLMAPTLMNASMN1; SMN2
SCHEMBL29957444 0.78 MEN1 (0.44) KDM4ERECQLMAPTLMNASMN1; SMN2
SCHEMBL15329817 0.77 RECQL (0.37) KDM4ERECQLMAPTLMNASMN1; SMN2
SCHEMBL2076094 0.76 RECQL (0.53) RECQLMAPTLMNASMN1; SMN2PTGS2
SCHEMBL29950537 0.76 MEN1 (0.47) RECQLMAPTLMNASMN1; SMN2NPC1
SCHEMBL2559921 0.76 RECQL (0.44) KDM4ERECQLMAPTLMNASMN1; SMN2
SCHEMBL15330763 0.75 RECQL (0.40) RECQLMAPTLMNASMN1; SMN2NPC1
SCHEMBL29951859 0.74 SMN1; SMN2 (0.34) SMN1; SMN2L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL29955244 0.74 MEN1 (0.49) KDM4ERECQLMAPTKMT2ACYP1A2

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