SCHEMBL27374085

SCHEMBL27374085

N/C(=N\OC(=O)COc1ccc(Cl)cc1Cl)c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 1.00
▸ HPGD P15428 3/20 1.00
▸ RAB9A P51151 10/20 0.81
▸ MAPT P10636 9/20 0.81
▸ NPC1 O15118 8/20 0.81
▸ ALDH1A1 P00352 5/20 0.81
▸ LMNA P02545 3/20 0.76
▸ GLA P06280 1/20 0.72
▸ NFKB1 P19838 2/20 0.67
▸ NFKB2 Q00653 2/20 0.67
▸ RELA Q04206 2/20 0.67
▸ GAA P10253 1/20 0.67
▸ MAPK1 P28482 1/20 0.66
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ KMT2A Q03164 2/20 0.61
▸ MEN1 O00255 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
SCHEMBL27374263 0.88 SMN1; SMN2 (0.79) SMN1; SMN2HPGDRAB9AMAPTNPC1
SCHEMBL27374018 0.86 MAPT (0.78) SMN1; SMN2HPGDRAB9AMAPTNPC1
SCHEMBL30750934 0.85 MAPT (0.84) SMN1; SMN2HPGDRAB9AMAPTNPC1
SCHEMBL27374467 0.85 MAPT (0.84) SMN1; SMN2HPGDRAB9AMAPTNPC1
SCHEMBL27374181 0.81 HPGD (0.69) SMN1; SMN2HPGDRAB9AMAPTNPC1
SCHEMBL9772061 0.81 HPGD (0.68) SMN1; SMN2HPGDRAB9AMAPTNPC1
SCHEMBL27374272 0.78 HPGD (0.64) SMN1; SMN2HPGDRAB9AMAPTNPC1
SCHEMBL27374991 0.77 HPGD (0.62) SMN1; SMN2HPGDRAB9AMAPTNPC1
SCHEMBL27374265 0.76 NPC1 (0.77) SMN1; SMN2HPGDRAB9AMAPTNPC1
SCHEMBL27374100 0.76 NPC1 (0.66) SMN1; SMN2HPGDRAB9AMAPTNPC1

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
WO-2024031002-A1 (2,4-DICHLOROPHENOXY)ACETIC ACID ANALOGS CORTEVA AGRISCIENCE LLC (US) 2024-02-08 — — WO disclosed
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