SCHEMBL26614162

SCHEMBL26614162

O=C1c2cc(F)ccc2-n2c1nc1ccc(CN(C(=O)O)c3ccccn3)cc1c2=O

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 19/20 0.66
▸ TDO2 P48775 18/20 0.66
▸ IDO2 Q6ZQW0 9/20 0.66
▸ MEN1 O00255 1/20 0.57
▸ APAF1 O14727 1/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ MITF O75030 1/20 0.57
▸ HSP90AA1 P07900 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ KMT2A Q03164 1/20 0.57

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
SCHEMBL30639086 0.90 IDO1 (0.60) IDO1TDO2IDO2MEN1APAF1
SCHEMBL30639082 0.80 TDO2 (1.00) IDO1TDO2IDO2MEN1APAF1
SCHEMBL18059863 0.80 TDO2 (1.00) IDO1TDO2IDO2MEN1APAF1
SCHEMBL26614216 0.79 IDO1 (0.62) IDO1TDO2IDO2MEN1APAF1
SCHEMBL18133818 0.79 IDO1 (0.78) IDO1TDO2IDO2MEN1APAF1
SCHEMBL30639081 0.79 IDO1 (0.78) IDO1TDO2IDO2MEN1APAF1
Trifluoroacetic Acid SCHEMBL26614179 0.78 IDO1 (0.55) IDO1TDO2IDO2MEN1APAF1
Trifluoroacetic Acid SCHEMBL30639090 0.78 IDO1 (0.55) IDO1TDO2IDO2MEN1APAF1
SCHEMBL26614090 0.77 IDO1 (0.71) IDO1TDO2IDO2MEN1APAF1
SCHEMBL31382861 0.77 IDO1 (0.77) IDO1TDO2IDO2MEN1APAF1

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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