SCHEMBL31479829

SCHEMBL31479829

CCOC(=O)c1cc(F)ccc1-c1cc(C2CN(C(=O)OC(C)(C)C)C2)cn2c(C)ncc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
TP53 P04637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.38
HPGD P15428 2/20 0.38
GPR119 Q8TDV5 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
USP30 Q70CQ3 1/20 0.35

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
SCHEMBL31479237 0.94 POLB (0.45) POLBTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL31479407 0.94 POLB (0.45) POLBTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL31479184 0.94 POLB (0.45) POLBTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL31479687 0.90 SMN1; SMN2 (0.42) POLBTP53SMN1; SMN2MEN1KMT2A
SCHEMBL31479350 0.87 ALDH1A1 (0.41) POLBTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL31479762 0.86 GPBAR1 (0.40) POLBTP53SMN1; SMN2GPBAR1GPR119
SCHEMBL31479892 0.86 GPBAR1 (0.38) POLBSMN1; SMN2GPBAR1GPR119ALOX5AP
SCHEMBL31479060 0.85 TP53 (0.40) POLBTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL31479132 0.85 GPBAR1 (0.41) POLBSMN1; SMN2GPBAR1GPR119ALOX5AP
SCHEMBL31479001 0.84 TSHR (0.36) ALDH1A1SMN1; SMN2MEN1LMNAGAA

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-2025067111-A1 MENIN-MLL INTERACTION INHIBITOR AND PREPARATION METHOD THEREFOR, AND APPLICATION 苏州必扬医药科技有限公司 2025-04-03 WO disclosed