SCHEMBL31479527

SCHEMBL31479527

CCOC(=O)c1cc(F)ccc1-c1cc(Cl)cn2c(C)ncc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
P2RX3 P56373 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 3/20 0.38
JMJD6 Q6NYC1 1/20 0.38
KDM4E B2RXH2 4/20 0.37
HPGD P15428 4/20 0.37
HSD17B10 Q99714 2/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
GRIN2B Q13224 1/20 0.37
GLA P06280 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 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
SCHEMBL31479001 0.82 TSHR (0.36) TSHRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31479832 0.81 HCRTR1 (0.40) GRIN2BMEN1KMT2A
SCHEMBL31479031 0.78 GRIN2B (0.35) GRIN2B
SCHEMBL31479829 0.77 POLB (0.40) SMN1; SMN2LMNAPOLBALDH1A1GAA
SCHEMBL31479060 0.77 TP53 (0.40) TSHRSMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL31479481 0.75 GPBAR1 (0.34) GRIN2B
SCHEMBL31479010 0.75 CDK9 (0.38) SMN1; SMN2LMNAPOLBALDH1A1GAA
SCHEMBL31479089 0.75 TSHR (0.41) TSHRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31479237 0.75 POLB (0.45) SMN1; SMN2LMNAPOLBALDH1A1GAA
SCHEMBL31479407 0.75 POLB (0.45) SMN1; SMN2LMNAPOLBALDH1A1GAA

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