SCHEMBL30474591

SCHEMBL30474591

COC(=O)CCN(CC1CCN(C(=O)OC(C)(C)C)C1)c1cccc(-n2nc(C)cc2C)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
USP30 Q70CQ3 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
PTK2 Q05397 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
TP53 P04637 4/20 0.37
POLB P06746 1/20 0.37
HPGDS O60760 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
TGFBR1 P36897 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL30474596 0.92 GPR119 (0.39) MAPTUSP30MEN1KMT2AJAK2
SCHEMBL30474554 0.81 KCNH2 (0.38) MEN1KMT2A
SCHEMBL30474577 0.80 SLC6A2 (0.35) MAPT
SCHEMBL30474534 0.80 USP30 (0.42) MAPTUSP30MEN1KMT2AGPR119
SCHEMBL30474506 0.78 TP53 (0.43) MAPTUSP30MEN1KMT2AGPR119
SCHEMBL28699700 0.76 MAPT (0.41) MAPTUSP30MEN1KMT2AGPR119
SCHEMBL28699698 0.74 PTPN2 (0.51) MAPTUSP30MEN1KMT2AGPR119
SCHEMBL7928638 0.66 KDM4E (0.45) MAPTMEN1KMT2AGPR119IDO1
SCHEMBL28709403 0.65 SMN1; SMN2 (0.43) MAPTMEN1KMT2ALMNA
SCHEMBL16140868 0.65 L3MBTL1 (0.48) MAPTMEN1KMT2APOLB

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
CN-113354635-B Pyrrolidine integrin regulator and application thereof 清药同创(北京)药物研发中心有限公司 2023-04-18 CN disclosed