SCHEMBL31382842

SCHEMBL31382842

CC(C)(C)OC(=O)Nc1ccc2nc3n(c(=O)c2c1)-c1ccc(C#N)cc1C3=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 13/20 0.46
▸ IDO1 P14902 11/20 0.46
▸ IDO2 Q6ZQW0 7/20 0.46
▸ EGLN2 Q96KS0 2/20 0.41
▸ APAF1 O14727 2/20 0.41
▸ RORC P51449 3/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL26857585 1.00 TDO2 (0.46) TDO2IDO1IDO2EGLN2APAF1
SCHEMBL26614260 0.88 TDO2 (0.52) TDO2IDO1IDO2APAF1MAPK14
SCHEMBL9222336 0.86 TDO2 (0.63) TDO2IDO1IDO2APAF1MEN1
SCHEMBL26861414 0.82 TDO2 (0.49) TDO2IDO1IDO2
SCHEMBL26861420 0.82 IDO1 (0.49) TDO2IDO1IDO2
SCHEMBL26614213 0.81 TDO2 (0.43) TDO2IDO1IDO2APAF1RORC
SCHEMBL30639065 0.81 TDO2 (0.43) TDO2IDO1IDO2APAF1RORC
SCHEMBL30639071 0.80 TDO2 (0.43) TDO2IDO1IDO2APAF1
SCHEMBL26857588 0.80 TDO2 (0.43) TDO2IDO1IDO2APAF1
SCHEMBL30639102 0.79 TDO2 (0.42) TDO2IDO1IDO2APAF1MEN1

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
CN-119487031-A Tryptanthrin derivatives and uses thereof 威森特生物公司 2025-02-18 — — CN disclosed
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