SCHEMBL30953885

SCHEMBL30953885

COc1ncnc(OC)c1SCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 7/20 0.45
HTT P42858 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
HPGD P15428 4/20 0.43
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 5/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
PKM P14618 3/20 0.41
NPC1 O15118 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CDC7 O00311 2/20 0.41
DBF4 Q9UBU7 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL9427382 0.85 NR2E3 (0.48) HSD17B10ALDH1A1HTTTDP1HPGD
SCHEMBL25563858 0.81 HSD17B10 (0.45) HSD17B10ALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL31525855 0.81 HSD17B10 (0.45) HSD17B10ALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL9427348 0.79 HSD17B10 (0.42) HSD17B10ALDH1A1HTTTDP1HPGD
SCHEMBL9741027 0.78 NPSR1 (0.44) HSD17B10ALDH1A1HTTTDP1HPGD
SCHEMBL9741899 0.75 NPSR1 (0.43) HSD17B10ALDH1A1HTTTDP1HPGD
SCHEMBL9427276 0.75 NR2E3 (0.43) HSD17B10ALDH1A1HTTTDP1HPGD
SCHEMBL9741908 0.75 NR2E3 (0.46) HSD17B10ALDH1A1HTTTDP1HPGD
SCHEMBL9741511 0.75 NR2E3 (0.41) HSD17B10ALDH1A1HTTTDP1HPGD
SCHEMBL31649899 0.75 L3MBTL1 (0.54) HSD17B10ALDH1A1HTTTDP1HPGD

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