SCHEMBL31458633

SCHEMBL31458633

CN(CCCNC(=O)n1ccnc1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
QPCT Q16769 1/20 0.33
METAP2 P50579 1/20 0.33
NAMPT P43490 1/20 0.32
BRD4 O60885 1/20 0.32
CYP17A1 P05093 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
GBA1 P04062 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
SCHEMBL17372738 0.82 L3MBTL1 (0.35) L3MBTL1QPCTALDH1A1
SCHEMBL12260560 0.81 ALDH1A1 (0.40) CA14L3MBTL1LMNAMEN1KMT2A
SCHEMBL31458659 0.81 TDP1 (0.47) L3MBTL1MEN1KMT2ATDP1NAMPT
SCHEMBL15220075 0.81 P2RX4 (0.44) L3MBTL1NAMPT
SCHEMBL9971314 0.77 ALDH1A1 (0.43) L3MBTL1LMNAMEN1KMT2AQPCT
SCHEMBL17094178 0.77 L3MBTL1 (0.36) L3MBTL1LMNAMEN1KMT2AQPCT
SCHEMBL1067072 0.77 GPR119 (0.34) AAK1CYP17A1GBA1
SCHEMBL31384215 0.76 L3MBTL1 (0.37) L3MBTL1LMNAMEN1KMT2ATDP1
SCHEMBL1118390 0.76 GPR119 (0.36) L3MBTL1BRD4CYP17A1
SCHEMBL19151954 0.76 ALDH1A1 (0.34) L3MBTL1QPCTALDH1A1MAPTTSHR

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
EP-3157523-B1 MULTIFUNCTIONAL AMINOQUINOLINE THERAPEUTIC AGENTS LOHOCLA RES CORPORATION (US) 2025-03-19 EP disclosed