SCHEMBL6803064

SCHEMBL6803064

COc1ccc(CCNC(=O)/C(=C/OC(F)F)c2ccc([N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
KCNH2 Q12809 1/20 0.58
ALDH1A1 P00352 4/20 0.56
LMNA P02545 3/20 0.56
MAPK1 P28482 3/20 0.55
HTT P42858 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL6803069 1.00 MAPT (0.59) MAPTSMN1; SMN2MEN1KMT2AKCNH2
SCHEMBL6796850 0.87 ALDH1A1 (0.62) MAPTSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL6801543 0.87 MAPT (0.58) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6796855 0.87 ALDH1A1 (0.62) MAPTSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL6801546 0.87 MAPT (0.58) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6801943 0.86 ALDH1A1 (0.58) MAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL6801944 0.86 ALDH1A1 (0.58) MAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL6802680 0.86 GAA (0.64) MAPTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL6802677 0.86 GAA (0.64) MAPTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL6803885 0.86 MAPT (0.69) MAPTSMN1; SMN2MEN1KMT2AKCNH2

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
US-6762321-B2 SUCH AS N-(2-(3,4-DIMETHOXYPHENYL)ETHYL)-3-DIFLUOROMETHOXY-2-(4 -METHYLPHENYL)ACRYLAMIDE; FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-13 US disclosed