SCHEMBL29058951

SCHEMBL29058951

Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 1/20 0.78
▸ LMNA P02545 3/20 0.73
▸ TDP1 Q9NUW8 2/20 0.71
▸ MEN1 O00255 1/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ EPAS1 Q99814 2/20 0.70
▸ GHSR Q92847 1/20 0.66
▸ ALDH1A1 P00352 4/20 0.66
▸ USP2 O75604 2/20 0.65
▸ GLA P06280 1/20 0.64
▸ HPGD P15428 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ ATM Q13315 1/20 0.64
▸ MAPT P10636 2/20 0.63
▸ GAA P10253 2/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ ALOX12 P18054 1/20 0.61

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
SCHEMBL12204335 0.90 LMNA (0.79) GPBAR1LMNATDP1MEN1KMT2A
SCHEMBL25754367 0.85 GPBAR1 (0.70) GPBAR1LMNATDP1MEN1KMT2A
SCHEMBL8362479 0.84 GPBAR1 (0.60) GPBAR1LMNATDP1MEN1KMT2A
SCHEMBL13654932 0.84 GPBAR1 (0.69) GPBAR1LMNATDP1MEN1KMT2A
SCHEMBL30395319 0.84 GPBAR1 (0.69) GPBAR1LMNATDP1MEN1KMT2A
SCHEMBL29058683 0.83 ALDH1A1 (0.82) GPBAR1LMNATDP1MEN1KMT2A
SCHEMBL30395450 0.82 EPAS1 (1.00) GPBAR1LMNATDP1MEN1KMT2A
SCHEMBL31546967 0.80 MAPT (0.76) GPBAR1LMNATDP1MEN1KMT2A
SCHEMBL29058927 0.80 EPAS1 (1.00) GPBAR1LMNATDP1MEN1KMT2A
SCHEMBL29058648 0.80 EPAS1 (0.77) GPBAR1LMNATDP1MEN1KMT2A

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
Send feedback