SCHEMBL30395752

SCHEMBL30395752

Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 1.00
KMT2A Q03164 4/20 0.78
LMNA P02545 6/20 0.78
HTT P42858 2/20 0.78
ALDH1A1 P00352 6/20 0.71
KDM4E B2RXH2 1/20 0.71
TSHR P16473 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
GAA P10253 2/20 0.69
NPC1 O15118 1/20 0.69
MAPK1 P28482 1/20 0.66
USP2 O75604 1/20 0.66
MAPT P10636 1/20 0.64
MEN1 O00255 2/20 0.64
HIF1A Q16665 1/20 0.64

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
SCHEMBL30395007 0.88 KMT2A (0.79) EPAS1KMT2ALMNAHTTALDH1A1
SCHEMBL27927962 0.88 LMNA (0.81) EPAS1KMT2ALMNAHTTALDH1A1
SCHEMBL3541913 0.87 KMT2A (0.78) EPAS1KMT2ALMNAHTTALDH1A1
SCHEMBL899489 0.87 EPAS1 (0.77) EPAS1KMT2ALMNAHTTALDH1A1
SCHEMBL10143953 0.84 KMT2A (0.73) EPAS1KMT2ALMNAHTTALDH1A1
SCHEMBL14096352 0.84 ALDH1A1 (0.81) EPAS1KMT2ALMNAHTTALDH1A1
SCHEMBL3553965 0.83 TSHR (1.00) EPAS1KMT2ALMNAHTTALDH1A1
SCHEMBL899061 0.82 KMT2A (0.70) EPAS1KMT2ALMNAHTTALDH1A1
SCHEMBL1225222 0.81 LMNA (0.78) EPAS1KMT2ALMNAHTTALDH1A1
SCHEMBL12694150 0.80 ALDH1A1 (0.70) EPAS1KMT2ALMNAHTTALDH1A1

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
CN-116236478-A Application of aromatic heterocyclic formamide compound 浙江大学 2023-06-09 CN disclosed