SCHEMBL20005592

SCHEMBL20005592

C=C/C=C(/Nc1ccccc1)c1ccccc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
TGM2 P21980 1/20 0.41
TYK2 P29597 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TP53 P04637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FFAR1 O14842 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37

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
SCHEMBL19055423 0.80 TGM2 (0.41) HPGDSMN1; SMN2TGM2ALDH1A1TP53
SCHEMBL298945 0.77 TGM2 (0.47) HPGDSMN1; SMN2TGM2ALDH1A1TP53
SCHEMBL29238385 0.77 HPGD (0.62) HPGDSMN1; SMN2KCNK3KCNK9TYK2
SCHEMBL18927701 0.75 HPGD (0.51) HPGDSMN1; SMN2KCNK3KCNK9TYK2
SCHEMBL23050087 0.75 TGM2 (0.34) HPGDSMN1; SMN2TGM2ALDH1A1L3MBTL1
SCHEMBL14464349 0.74 HPGD (0.40) HPGDSMN1; SMN2ALDH1A1TP53L3MBTL1
SCHEMBL12888034 0.73 NPC1 (0.53) HPGDSMN1; SMN2TGM2ALDH1A1NPC1
SCHEMBL19987339 0.73 RAPGEF4 (0.41) SMN1; SMN2ALDH1A1TP53MAOBNPC1
SCHEMBL18941435 0.73 HPGD (0.61) HPGDSMN1; SMN2KCNK3KCNK9TYK2
SCHEMBL7595646 0.72 CHRM3 (0.39) HPGDSMN1; SMN2ALDH1A1TP53L3MBTL1

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-2018057365-A1 ALKYLATED ALKOXYDIARYLAMINE ANTIOXIDANTS LANXESS SOLUTIONS US INC. (US) 2018-03-29 WO disclosed