SCHEMBL2474636

SCHEMBL2474636

O=C(NN=CCc1cccc(Cl)c1O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.47
SPHK1 Q9NYA1 1/20 0.47
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
ASF1A Q9Y294 1/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM1A O60341 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL5815125 0.77 ALDH1A1 (0.50) MAPTSMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL684189 0.77 NPC1 (0.64) MAPTSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL17541218 0.75 ALDH1A1 (0.55) MAPTSMN1; SMN2KDM4EALDH1A1ASF1A
SCHEMBL11302626 0.75 ALDH1A1 (0.55) MAPTSMN1; SMN2KDM4EALDH1A1ASF1A
SCHEMBL24784482 0.74 KDM4E (0.60) MAPTSMN1; SMN2KDM4EALDH1A1ASF1A
SCHEMBL11298006 0.74 KDM4E (0.60) MAPTSMN1; SMN2KDM4EALDH1A1ASF1A
SCHEMBL15974230 0.74 KDM4E (0.60) MAPTSMN1; SMN2KDM4EALDH1A1ASF1A
SCHEMBL5812806 0.73 POLB (0.56) MAPTSMN1; SMN2KDM4EALDH1A1ASF1A
SCHEMBL5814788 0.73 POLB (0.56) MAPTSMN1; SMN2KDM4EALDH1A1ASF1A
SCHEMBL684974 0.72 CYP1A2 (0.56) MAPTSMN1; SMN2KDM4EALDH1A1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376435-A2 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER Dow AgroSciences LLC (US) 2011-10-19 EP disclosed
EP-2376436-A2 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER Dow AgroSciences LLC (US) 2011-10-19 EP disclosed