SCHEMBL29058648

SCHEMBL29058648

Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(F)cc(C#N)c1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 2/20 0.77
▸ LMNA P02545 3/20 0.66
▸ GPBAR1 Q8TDU6 2/20 0.63
▸ USP2 O75604 1/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ ALDH1A1 P00352 4/20 0.59
▸ GHSR Q92847 1/20 0.57
▸ POLB P06746 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ MAPT P10636 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ GAA P10253 1/20 0.55

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
SCHEMBL29058927 0.87 EPAS1 (1.00) EPAS1LMNAGPBAR1USP2MEN1
SCHEMBL29058951 0.80 GPBAR1 (0.78) EPAS1LMNAGPBAR1USP2MEN1
SCHEMBL12204335 0.79 LMNA (0.79) EPAS1LMNAGPBAR1USP2MEN1
SCHEMBL29058683 0.76 ALDH1A1 (0.82) LMNAGPBAR1USP2MEN1KMT2A
SCHEMBL30395450 0.75 EPAS1 (1.00) EPAS1LMNAGPBAR1USP2MEN1
SCHEMBL20507144 0.75 CYP2C19 (0.73) EPAS1LMNAGPBAR1USP2MEN1
SCHEMBL13654932 0.75 GPBAR1 (0.69) EPAS1LMNAGPBAR1USP2MEN1
SCHEMBL30395319 0.75 GPBAR1 (0.69) EPAS1LMNAGPBAR1USP2MEN1
SCHEMBL5533828 0.74 LMNA (0.74) LMNAGPBAR1USP2MEN1KMT2A
SCHEMBL31546967 0.73 MAPT (0.76) EPAS1LMNAGPBAR1USP2MEN1

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