SCHEMBL29953693

SCHEMBL29953693

CCOc1cc(F)c(B(O)O)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE4A P27815 1/20 0.35

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
SCHEMBL2916070 0.92 KDM1A (0.38) KDM1AHTTL3MBTL1ALDH1A1HSD17B10
SCHEMBL16687404 0.86 L3MBTL1 (0.38) KDM1AHTTL3MBTL1ALDH1A1HSD17B10
SCHEMBL29417474 0.86 L3MBTL1 (0.38) KDM1AHTTL3MBTL1ALDH1A1HSD17B10
SCHEMBL2914756 0.84 PDE4D (0.44) L3MBTL1ALDH1A1KDM4EMAPTHPGD
SCHEMBL28697955 0.81 PTPN1 (0.30)
SCHEMBL4599515 0.81 TDP1 (0.38) KDM1AHTTL3MBTL1ALDH1A1KDM4E
SCHEMBL4886560 0.78 KDM1A (0.39) KDM1AHTTL3MBTL1ALDH1A1HSD17B10
SCHEMBL789623 0.78 ENPP2 (0.43) KDM1AHTTMAPK1TUBB1RAB9A
SCHEMBL29408115 0.78 ENPP2 (0.43) KDM1AHTTMAPK1TUBB1RAB9A
SCHEMBL29957476 0.76 LIPE (0.61) KDM1AL3MBTL1MAPTMAPK1NPC1

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