SCHEMBL27374263

SCHEMBL27374263

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

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.79
▸ HPGD P15428 3/20 0.79
▸ RAB9A P51151 10/20 0.64
▸ NPC1 O15118 8/20 0.64
▸ MAPT P10636 7/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ LMNA P02545 2/20 0.62
▸ NFKB1 P19838 2/20 0.57
▸ NFKB2 Q00653 2/20 0.57
▸ RELA Q04206 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ GLA P06280 1/20 0.56
▸ MAPK1 P28482 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.50
▸ HTT P42858 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47

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
SCHEMBL27374085 0.88 SMN1; SMN2 (1.00) SMN1; SMN2HPGDRAB9ANPC1MAPT
SCHEMBL27374265 0.87 NPC1 (0.77) SMN1; SMN2HPGDRAB9ANPC1MAPT
SCHEMBL27374013 0.87 SMN1; SMN2 (0.61) SMN1; SMN2HPGDRAB9ANPC1MAPT
SCHEMBL9772061 0.81 HPGD (0.68) SMN1; SMN2HPGDRAB9ANPC1MAPT
SCHEMBL27374256 0.79 NPC1 (0.59) SMN1; SMN2HPGDRAB9ANPC1MAPT
SCHEMBL27374181 0.78 HPGD (0.69) SMN1; SMN2HPGDRAB9ANPC1MAPT
SCHEMBL27374251 0.78 SMN1; SMN2 (0.59) SMN1; SMN2HPGDRAB9ANPC1MAPT
SCHEMBL27374100 0.78 NPC1 (0.66) SMN1; SMN2HPGDRAB9ANPC1MAPT
SCHEMBL27374272 0.77 HPGD (0.64) SMN1; SMN2HPGDRAB9ANPC1MAPT
SCHEMBL31503214 0.77 NPC1 (0.61) SMN1; SMN2HPGDRAB9ANPC1MAPT

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
Send feedback