SCHEMBL30953729

SCHEMBL30953729

COCCOc1ncnc(OC)c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
HCAR3 P49019 2/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FFAR2 O15552 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
PADI4 Q9UM07 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
HTT P42858 2/20 0.34
HSD17B10 Q99714 1/20 0.34
TNFRSF1A P19438 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL8599315 0.86 POLB (0.46) FLT4KDRPOLBTDP1MAPK1
SCHEMBL30953680 0.84 ALDH1A1 (0.42) FLT4KDRPOLBTDP1CA12
SCHEMBL18113739 0.74 MAPT (0.46) TSHRMAPK1HSD17B10KDM4EKMT2A
SCHEMBL1505151 0.74 GRM4 (0.40) HCAR3TDP1TSHRMAPK1PADI4
SCHEMBL18113766 0.74 ALDH1A1 (0.42) FLT4KDRPOLBTDP1MAPK1
SCHEMBL30843159 0.73 POLB (0.37) FLT4KDRPOLBTDP1MAPK1
SCHEMBL30953805 0.73 NNMT (0.39) FLT4KDRPOLBTDP1MAPK1
Hydrochloric Acid SCHEMBL10558900 0.72 ALDH1A1 (0.41) FLT4KDRPOLBTDP1MAPK1
SCHEMBL3448711 0.72 CNR1 (0.40) HCAR3TDP1TSHRMAPK1PADI4
SCHEMBL18113749 0.71 L3MBTL1 (0.40) FLT4KDRPOLBTDP1TSHR

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
WO-2024140431-A1 COMPOUNDS COMPRISING HETEROARYL RINGS AND COMPOSITIONS AND METHODS THEREOF IONGEN THERAPEUTICS CO., LTD. (CN) 2024-07-04 WO disclosed