SCHEMBL29954953

SCHEMBL29954953

O=Cc1c(Cl)n(-c2ccccc2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ATM Q13315 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 3/20 0.43
USP2 O75604 1/20 0.43
MAPK8 P45983 2/20 0.42
MAPK9 P45984 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NOD2 Q9HC29 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL2343158 1.00 KDM4E (0.52) KDM4EATML3MBTL1ALDH1A1LMNA
SCHEMBL2341924 0.91 ALDH1A1 (0.48) KDM4EATML3MBTL1ALDH1A1LMNA
SCHEMBL2345150 0.90 NPSR1 (0.49) KDM4EATML3MBTL1ALDH1A1LMNA
SCHEMBL2348488 0.87 MAPT (0.48) KDM4EATML3MBTL1ALDH1A1LMNA
SCHEMBL2345076 0.87 HTT (0.38) KDM4EATML3MBTL1ALDH1A1LMNA
SCHEMBL2345291 0.87 NPSR1 (0.44) KDM4EATML3MBTL1ALDH1A1LMNA
SCHEMBL2347546 0.87 LMNA (0.47) KDM4EATML3MBTL1ALDH1A1LMNA
SCHEMBL2346039 0.87 LMNA (0.50) KDM4EATML3MBTL1ALDH1A1LMNA
SCHEMBL2346329 0.87 CYP1A2 (0.51) KDM4EATML3MBTL1ALDH1A1LMNA
SCHEMBL2349756 0.85 LMNA (0.50) KDM4EATML3MBTL1ALDH1A1LMNA

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