SCHEMBL30953680

SCHEMBL30953680

C=CCCOc1ncnc(OC)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.40
SLC37A4 O43826 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EDNRA P25101 2/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
HTT P42858 1/20 0.32
PKM P14618 1/20 0.32
PPARA Q07869 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
SCHEMBL30953729 0.84 FLT4 (0.37) ALDH1A1KDM4EFLT4KDRPOLB
SCHEMBL8599315 0.83 POLB (0.46) ALDH1A1L3MBTL1KDM4EFLT4KDR
SCHEMBL18113739 0.72 MAPT (0.46) ALDH1A1L3MBTL1KDM4EMAPTHSD17B10
SCHEMBL18113766 0.71 ALDH1A1 (0.42) ALDH1A1KDM4EFLT4KDRPOLB
SCHEMBL30843159 0.71 POLB (0.37) ALDH1A1KDM4EFLT4KDRPOLB
SCHEMBL30953805 0.71 NNMT (0.39) ALDH1A1L3MBTL1KDM4EFLT4KDR
Hydrochloric Acid SCHEMBL10558900 0.70 ALDH1A1 (0.41) ALDH1A1KDM4EFLT4KDRPOLB
SCHEMBL18113749 0.69 L3MBTL1 (0.40) ALDH1A1L3MBTL1KDM4EFLT4KDR
SCHEMBL24936190 0.68 PDPK1 (0.38) ALDH1A1L3MBTL1FLT4KDRPOLB
SCHEMBL3313611 0.67 ALDH1A1 (0.84) ALDH1A1L3MBTL1POLBTDP1MAPT

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