SCHEMBL30933433

SCHEMBL30933433

COC(=O)c1ccc2c(-c3c(F)cccc3Cl)c(C)nn2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RORC P51449 1/20 0.37
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL23355447 1.00 MAPK14 (0.43) MAPK14ALDH1A1MAPTTP53RORC
SCHEMBL23355436 0.92 JAK1 (0.39) MAPK14ALDH1A1MAPTJAK1TYK2
SCHEMBL29273416 0.87 RORC (0.41) RORC
SCHEMBL29273408 0.78 TTR (0.45) MAPK14ALDH1A1MAPTTP53RORC
SCHEMBL30933439 0.76 ALDH1A1 (0.36) MAPK14ALDH1A1MAPTTP53KDM4E
SCHEMBL23355444 0.76 ALDH1A1 (0.36) MAPK14ALDH1A1MAPTTP53KDM4E
SCHEMBL23355474 0.72 TDP1 (0.42) MAPK14ALDH1A1MAPTKDM4EKMT2A
SCHEMBL9049556 0.71 MAPT (0.43) MAPK14ALDH1A1MAPTTP53JAK1
SCHEMBL953252 0.70 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL23355434 0.70 GAA (0.46) ALDH1A1JAK1TYK2KDM4EKMT2A

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-112996788-B Anthelmintic heterocyclic compounds 勃林格殷格翰动物保健美国公司 2024-07-16 — — CN disclosed
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