SCHEMBL29953788

SCHEMBL29953788

O=Cc1cnc(O)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PTGS2 P35354 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH5A1 P51649 1/20 0.34
ABAT P80404 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
STAT3 P40763 1/20 0.33
NFE2L2 Q16236 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK2 Q92630 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33
XDH P47989 1/20 0.32

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
SCHEMBL15760086 1.00 ERN1 (0.36) ERN1ALDH1A1L3MBTL1KDM4EPTGS2
SCHEMBL21484861 0.80 KDM4E (0.46) ERN1ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL29954177 0.80 ALDH1A1 (0.37) ALDH1A1L3MBTL1SMN1; SMN2POLBCASP6
SCHEMBL30013048 0.80 ALDH1A1 (0.37) ALDH1A1L3MBTL1SMN1; SMN2POLBCASP6
SCHEMBL31002342 0.77 ALDH1A1 (0.35) ALDH1A1L3MBTL1SMN1; SMN2POLBCASP6
SCHEMBL359521 0.77 ALDH1A1 (0.35) ALDH1A1L3MBTL1SMN1; SMN2POLBCASP6
SCHEMBL335669 0.77 ALDH1A1 (0.37) ALDH1A1L3MBTL1KDM4ESMN1; SMN2PTGS1
SCHEMBL875527 0.77 POLB (0.38) ALDH1A1L3MBTL1SMN1; SMN2NFE2L2POLB
SCHEMBL4325787 0.77 ALDH1A1 (0.43) ERN1ALDH1A1L3MBTL1KDM4EPTGS2
SCHEMBL30361044 0.77 POLB (0.38) ALDH1A1L3MBTL1SMN1; SMN2NFE2L2POLB

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