SCHEMBL23638499

SCHEMBL23638499

CC1CN(CCn2cc3cc(B4OC(C)(C)C(C)(C)O4)ccc3n2)CC(C)O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
SIGMAR1 Q99720 5/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
KCNH2 Q12809 1/20 0.32
FGFR1 P11362 2/20 0.32
FGFR2 P21802 2/20 0.32
FGFR4 P22455 2/20 0.32
FGFR3 P22607 2/20 0.32
KDR P35968 2/20 0.32
MCHR1 Q99705 2/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
LPL P06858 4/20 0.31
LIPG Q9Y5X9 4/20 0.31
FFAR1 O14842 1/20 0.31
SNCA P37840 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL28807176 1.00 IDO1 (0.33) IDO1TDO2SIGMAR1KDM4ELMNA
SCHEMBL28807184 0.84 HDAC3 (0.44) IDO1TDO2LMNAMCHR1HDAC3
SCHEMBL31394882 0.81 LPL (0.43) IDO1TDO2LPLLIPGFFAR1
SCHEMBL23638277 0.79 KMT2A (0.43) SIGMAR1KDM4ELMNAKCNH2MCHR1
SCHEMBL23638383 0.79 KMT2A (0.43) SIGMAR1KDM4ELMNAKCNH2MCHR1
SCHEMBL23638441 0.79 FFAR1 (0.39) IDO1TDO2LPLLIPGFFAR1
SCHEMBL23638498 0.78 KDM4E (0.42) SIGMAR1KDM4ELMNAKCNH2MCHR1
SCHEMBL23632999 0.78 KDM4E (0.42) SIGMAR1KDM4ELMNAKCNH2MCHR1
SCHEMBL23638437 0.78 IDO1 (0.37) IDO1TDO2LPLLIPGFFAR1
SCHEMBL17113584 0.78 LPL (0.41) IDO1TDO2LPLLIPGFFAR1

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-2021139775-A1 PYRIDONE COMPOUND AND APPLICATION 江苏先声药业有限公司 2021-07-15 WO disclosed