SCHEMBL29101338

SCHEMBL29101338

COc1cc(-c2ccn(CC=O)n2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 5/20 0.40
▸ PDE4B Q07343 5/20 0.40
▸ PDE4C Q08493 5/20 0.40
▸ PDE4D Q08499 5/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ GRK6 P43250 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ HCK P08631 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 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
SCHEMBL29598549 0.78 SCN4A (0.50) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL15338798 0.70 KMT2A (0.48) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL12096274 0.67 KDM1A (0.46) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL3603255 0.66 PSEN1 (0.41) PDE4APDE4BPDE4CPDE4DITGB1
SCHEMBL1815600 0.66 CHEK1 (0.44) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL16911314 0.66 KDM4E (0.46) ITGB1ITGA4MEN1KMT2AALDH1A1
SCHEMBL2554927 0.65 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2
SCHEMBL3395758 0.64 GRK6 (0.41) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL19568030 0.64 ACSS2 (0.41) KDM1AMEN1KMT2AALDH1A1MAPT
SCHEMBL9977898 0.64 CA1 (0.36) KDM1AMEN1KMT2AALDH1A1GAA

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-112368280-B Heterocyclic derivatives as pest control agents 拜耳公司 2023-01-20 — — CN disclosed
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