SCHEMBL7928875

SCHEMBL7928875

c1ccc(-c2cccc(Nc3ccc4c(c3)OCO4)c2Nc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.49
DHODH Q02127 1/20 0.48
ADRA2A P08913 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
KDM1A O60341 1/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
HPGD P15428 1/20 0.44
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 2/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL18787586 0.89 PTGS2 (0.53) PTGS2DHODHMAPK9MAPK10MAPT
SCHEMBL7928874 0.82 DHODH (0.61) PTGS2DHODHMAPK9MAPK10MAPT
SCHEMBL1920761 0.81 NPC1 (0.54) PTGS2DHODHMAPK9MAPK10MAPT
SCHEMBL2782868 0.77 MAPK14 (0.54) DHODHMAPK9MAPK10MAPTNPC1
SCHEMBL6077288 0.76 MAPT (0.52) PTGS2KDM1AMAPTHPGDHSD17B10
SCHEMBL30350962 0.76 MAPT (0.52) PTGS2KDM1AMAPTHPGDHSD17B10
SCHEMBL24778135 0.74 MAPT (0.46) PTGS2DHODHMAPTNPC1RAB9A
SCHEMBL7926077 0.74 EGFR (0.58) PTGS2DHODHADRA2AMAPTNPC1
SCHEMBL8620153 0.73 TDP1 (0.48) PTGS2MAPTHPGDHSD17B10TP53
SCHEMBL378949 0.72 SMN1; SMN2 (0.62) DHODHADRA2AMAPTNPC1RAB9A

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-6228547-B1 CHARGE TRANSFER COMPOUNDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-05-08 US disclosed