SCHEMBL29954934

SCHEMBL29954934

OB(O)c1c(OC(F)F)ccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
CYP2A6 P11509 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAB9A P51151 1/20 0.34
NCEH1 Q6PIU2 4/20 0.33
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPRT1 P00492 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
SCHEMBL21223556 0.83 MAPT (0.54) MAPTALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL29954994 0.78 MCHR1 (0.43) MAPTLMNACYP1A2CYP2C9CYP2C19
SCHEMBL29517404 0.77 MAPT (0.58) MAPTMEN1KMT2AKDM4ECYP1A2
SCHEMBL1004416 0.77 MAPT (0.58) MAPTMEN1KMT2AKDM4ECYP1A2
SCHEMBL29954753 0.77 MAPT (0.37) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL15191879 0.74 NCEH1 (0.48) MAPTALDH1A1LMNACYP1A2CYP2C9
SCHEMBL29953987 0.74 ALDH1A1 (0.39) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL16718701 0.74 NCEH1 (0.53) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL15564688 0.73 PRMT5 (0.41) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL29956903 0.73 ALOX5 (0.50) MAPTALDH1A1KDM4ELMNATSHR

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