SCHEMBL24975552

SCHEMBL24975552

CC1Cc2c(cccc2N2CCOCC2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
UCHL1 P09936 3/20 0.41
USP30 Q70CQ3 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GPR119 Q8TDV5 2/20 0.39
MAPT P10636 2/20 0.39
TIPARP Q7Z3E1 1/20 0.39
IDH1 O75874 1/20 0.39
FAAH O00519 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
RECQL P46063 1/20 0.38
NAMPT P43490 1/20 0.38
DDB1 Q16531 1/20 0.37

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
SCHEMBL30239541 0.87 UCHL1 (0.39) USP2SMN1; SMN2UCHL1USP30L3MBTL1
SCHEMBL30239664 0.85 PTPN1 (0.48) USP2SMN1; SMN2UCHL1USP30ALDH1A1
SCHEMBL22366355 0.81 UCHL1 (0.42) UCHL1MEN1KMT2ANAMPTDDB1
SCHEMBL30429044 0.81 UCHL1 (0.42) UCHL1MEN1KMT2ANAMPTDDB1
SCHEMBL30239412 0.77 PIK3R1 (0.41) UCHL1
SCHEMBL30239433 0.77 PIK3R1 (0.41) UCHL1
SCHEMBL30239615 0.77 PIK3R1 (0.40) UCHL1MEN1KMT2A
SCHEMBL30239519 0.77 PIK3R1 (0.40) UCHL1MEN1KMT2A
SCHEMBL29376321 0.76 NAMPT (0.48) MEN1KMT2ANAMPTMAPK1
SCHEMBL12013723 0.76 NAMPT (0.48) MEN1KMT2ANAMPTMAPK1

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-2023003862-A1 CXCR4 MODULATORS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2023-01-26 WO disclosed