SCHEMBL26855338

SCHEMBL26855338

N#Cc1ccc2c(c1)/C(=N\O)c1nc3cc(F)ccc3c(=O)n1-2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 13/20 0.47
▸ TDO2 P48775 11/20 0.47
▸ IDO2 Q6ZQW0 8/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ APAF1 O14727 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ MITF O75030 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ GLA P06280 1/20 0.39
▸ TDP2 O95551 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ CASR P41180 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL26855991 0.88 KMT2A (0.54) IDO1TDO2IDO2KMT2AMEN1
SCHEMBL31382838 0.86 IDO1 (0.63) IDO1TDO2IDO2KMT2AMEN1
SCHEMBL26614193 0.86 IDO1 (0.63) IDO1TDO2IDO2KMT2AMEN1
SCHEMBL26855601 0.80 IDO1 (0.48) IDO1TDO2IDO2KMT2AMEN1
SCHEMBL26857749 0.78 TDP2 (0.36) IDO1TDO2IDO2KMT2AMEN1
SCHEMBL26864086 0.78 TDP2 (0.36) IDO1TDO2IDO2KMT2AMEN1
SCHEMBL26614256 0.75 IDO1 (0.77) IDO1TDO2IDO2KMT2AMEN1
SCHEMBL26855331 0.75 KMT2A (0.49) IDO1TDO2IDO2KMT2AMEN1
SCHEMBL4585634 0.73 IDO1 (0.80) IDO1TDO2IDO2KMT2AMEN1
SCHEMBL26614209 0.73 APAF1 (0.63) IDO1TDO2IDO2KMT2AMEN1

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-2023211977-A1 TRYPTANTHRIN DERIVATIVES AND USES THEREOF VISCIENT BIO, INC. (US) 2023-11-02 — — WO disclosed
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