SCHEMBL29058683

SCHEMBL29058683

Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1F

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.82
▸ LMNA P02545 6/20 0.71
▸ KMT2A Q03164 4/20 0.69
▸ GPBAR1 Q8TDU6 1/20 0.68
▸ TSHR P16473 5/20 0.67
▸ TDP1 Q9NUW8 4/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.67
▸ NPSR1 Q6W5P4 3/20 0.67
▸ KDM4E B2RXH2 3/20 0.67
▸ HSD17B10 Q99714 3/20 0.67
▸ MAPT P10636 2/20 0.67
▸ HPGD P15428 2/20 0.67
▸ CASP1 P29466 2/20 0.67
▸ HTT P42858 1/20 0.67
▸ MEN1 O00255 2/20 0.65
▸ USP2 O75604 1/20 0.65
▸ CASP7 P55210 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ ACHE P22303 1/20 0.62

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
SCHEMBL30395319 0.89 GPBAR1 (0.69) ALDH1A1LMNAKMT2AGPBAR1TSHR
SCHEMBL13654932 0.89 GPBAR1 (0.69) ALDH1A1LMNAKMT2AGPBAR1TSHR
SCHEMBL29058951 0.83 GPBAR1 (0.78) ALDH1A1LMNAKMT2AGPBAR1TDP1
SCHEMBL12204335 0.82 LMNA (0.79) ALDH1A1LMNAKMT2AGPBAR1TDP1
SCHEMBL5533828 0.81 LMNA (0.74) ALDH1A1LMNAKMT2AGPBAR1TSHR
SCHEMBL12204291 0.81 LMNA (1.00) ALDH1A1LMNAKMT2AGPBAR1TSHR
SCHEMBL18047041 0.80 ALDH1A1 (0.64) ALDH1A1LMNAKMT2AGPBAR1TSHR
SCHEMBL29607145 0.80 ALDH1A1 (0.64) ALDH1A1LMNAKMT2AGPBAR1TSHR
SCHEMBL18047039 0.80 ALDH1A1 (0.64) ALDH1A1LMNAKMT2AGPBAR1TSHR
SCHEMBL27910275 0.78 HSD17B10 (0.78) ALDH1A1LMNAGPBAR1SMN1; SMN2HSD17B10

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
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