SCHEMBL30107982

SCHEMBL30107982

Nc1nc(-c2ccco2)cc(-n2nnc3cc(OCC(=O)N4CCN(c5ccccc5)CC4)ccc32)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.45
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 10/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 4/20 0.44
MAPK1 P28482 3/20 0.44
NPSR1 Q6W5P4 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
GLA P06280 2/20 0.42
POLB P06746 4/20 0.41
HPGD P15428 3/20 0.41
PKM P14618 1/20 0.40
NR4A1 P22736 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL30108041 0.82 MAPT (0.45) TSHRSMN1; SMN2HSD17B10ALDH1A1KDM4E
SCHEMBL30107980 0.80 ROCK1 (0.45) GAATSHRHSD17B10ALDH1A1KDM4E
SCHEMBL30108028 0.78 KDM4E (0.43) GAATSHRHSD17B10ALDH1A1KDM4E
SCHEMBL30107951 0.76 PTGS1 (0.46) GAATSHRHSD17B10ALDH1A1KDM4E
SCHEMBL30108023 0.75 PTGS1 (0.47) GAATSHRHSD17B10ALDH1A1KDM4E
SCHEMBL30108051 0.75 ALDH1A1 (0.47) GAATSHRSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL30108077 0.74 SLC6A2 (0.40) GAATSHRHSD17B10ALDH1A1KDM4E
SCHEMBL30108014 0.74 KDM4E (0.42) GAATSHRHSD17B10ALDH1A1KDM4E
SCHEMBL30107959 0.73 KDM4E (0.44) GAATSHRHSD17B10ALDH1A1KDM4E
SCHEMBL30108012 0.72 TSHR (0.58) GAATSHRSMN1; SMN2HSD17B10ALDH1A1

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-2022203399-A1 ADENOSINE A2A RECEPTOR ANTAGONIST AND USE THEREOF 주식회사 스탠다임 2022-09-29 WO disclosed