SCHEMBL7928874

SCHEMBL7928874

c1ccc(-c2ccccc2Nc2ccc3c(c2)OCO3)c(Nc2ccc3c(c2)OCO3)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.61
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
HSD17B10 Q99714 3/20 0.50
PTGS2 P35354 3/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.50
GFER P55789 1/20 0.50
MAPK9 P45984 1/20 0.50
MAPK10 P53779 1/20 0.50
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.50
HIF1A Q16665 1/20 0.50
HPGD P15428 1/20 0.49
KMT2A Q03164 2/20 0.49

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
SCHEMBL1920761 0.91 NPC1 (0.54) DHODHNPC1RAB9AHSD17B10PTGS2
SCHEMBL18787586 0.91 PTGS2 (0.53) DHODHNPC1RAB9AHSD17B10PTGS2
SCHEMBL2782868 0.83 MAPK14 (0.54) DHODHNPC1RAB9AHSD17B10MAPT
SCHEMBL7928875 0.82 PTGS2 (0.49) DHODHNPC1RAB9AHSD17B10PTGS2
SCHEMBL378949 0.81 SMN1; SMN2 (0.62) DHODHNPC1RAB9AHSD17B10MAPT
SCHEMBL7926077 0.80 EGFR (0.58) DHODHNPC1RAB9AHSD17B10PTGS2
SCHEMBL1920755 0.79 NPC1 (0.60) DHODHNPC1RAB9AHSD17B10MAPT
SCHEMBL2781010 0.77 RAB9A (0.59) DHODHNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL14028296 0.76 HIF1A (0.57) DHODHNPC1RAB9AHSD17B10PTGS2
SCHEMBL24778135 0.75 MAPT (0.46) DHODHNPC1RAB9AHSD17B10PTGS2

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