SCHEMBL30396182

SCHEMBL30396182

Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 4/20 0.74
MAPT P10636 2/20 0.64
POLB P06746 1/20 0.64
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
HPGD P15428 2/20 0.56
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PTGS2 P35354 4/20 0.54
ALOX12 P18054 1/20 0.54
GLA P06280 1/20 0.52
HTT P42858 1/20 0.52
ATM Q13315 1/20 0.52
GPBAR1 Q8TDU6 1/20 0.52
KDM4E B2RXH2 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL29058654 1.00 EPAS1 (0.74) EPAS1MAPTPOLBALDH1A1LMNA
SCHEMBL29058656 0.85 EPAS1 (0.78) EPAS1MAPTPOLBALDH1A1LMNA
SCHEMBL30395450 0.85 EPAS1 (1.00) EPAS1MAPTPOLBALDH1A1LMNA
SCHEMBL30395324 0.84 EPAS1 (0.64) EPAS1MAPTPOLBALDH1A1LMNA
SCHEMBL29058663 0.84 EPAS1 (0.64) EPAS1MAPTPOLBALDH1A1LMNA
SCHEMBL29059158 0.83 EPAS1 (0.74) EPAS1MAPTPOLBALDH1A1LMNA
SCHEMBL29059359 0.80 EPAS1 (1.00) EPAS1MAPTPOLBALDH1A1LMNA
SCHEMBL29059021 0.80 EPAS1 (0.81) EPAS1MAPTPOLBALDH1A1LMNA
SCHEMBL29058661 0.79 EPAS1 (0.80) EPAS1MAPTPOLBALDH1A1LMNA
SCHEMBL29058691 0.78 EPAS1 (0.74) EPAS1MAPTPOLBALDH1A1LMNA

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