Tryptanthrin

Tryptanthrin

SCHEMBL6918387

O=C1c2ccccc2-n2c1nc1ccccc1c2=O.O=c1c(O)c(-c2ccc(O)cc2)oc2cc3c(c(O)c12)OCO3

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 10/20 0.48
IDO2 Q6ZQW0 10/20 0.48
IDO1 P14902 8/20 0.48
KMT2A Q03164 6/20 0.48
MAPT P10636 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.48
ALOX5 P09917 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
NTRK1 P04629 1/20 0.48
PTGS2 P35354 1/20 0.48
MAPK8 P45983 1/20 0.48
NTRK2 Q16620 1/20 0.48
UGT1A1 P22309 1/20 0.44
UGT1A8 Q9HAW9 1/20 0.44
MEN1 O00255 5/20 0.42
KDM4E B2RXH2 2/20 0.42
TP53 P04637 2/20 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
SCHEMBL6412437 0.78 UGT1A1 (0.65) KMT2AMAPTNPC1RAB9AHTT
Tryptanthrin SCHEMBL2426211 0.70 TDO2 (1.00) TDO2IDO2IDO1KMT2AMAPT
Tryptanthrin SCHEMBL29359262 0.70 TDO2 (1.00) TDO2IDO2IDO1KMT2AMAPT
SCHEMBL30537967 0.67 TDO2 (0.74) TDO2IDO2IDO1KMT2AMAPT
SCHEMBL9103139 0.67 TDO2 (0.74) TDO2IDO2IDO1KMT2AMAPT
SCHEMBL15951027 0.65 UGT1A1 (0.46) KMT2AMAPTNPC1RAB9AHTT
SCHEMBL24513477 0.65 TDO2 (0.62) TDO2IDO2IDO1KMT2AMAPT
SCHEMBL29118562 0.64 FBP1 (0.65) KMT2AMAPTLMNAALOX5HDAC6
Quercetin SCHEMBL5490220 0.64 MEN1 (0.58) KMT2AMAPTHTTLMNAALOX5
SCHEMBL24513677 0.63 TDO2 (0.62) TDO2IDO2IDO1KMT2AMAPT

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
EP-0987027-B1 Ethyl acetate extract from Indigo plant HAYASHIBARA BIOCHEM LAB (JP) 2004-08-11 EP claimed