SCHEMBL30639094

SCHEMBL30639094

O=C1c2cc(C(F)(F)F)ccc2-n2c1nc1ccccc1c2=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 15/20 0.71
TDO2 P48775 12/20 0.71
IDO2 Q6ZQW0 10/20 0.71
APAF1 O14727 2/20 0.71
NPC1 O15118 2/20 0.71
RAB9A P51151 2/20 0.71
KMT2A Q03164 2/20 0.71
MEN1 O00255 1/20 0.71
MITF O75030 1/20 0.71
HSP90AA1 P07900 1/20 0.71
LMNA P02545 1/20 0.65
NTRK1 P04629 1/20 0.65
ALOX5 P09917 1/20 0.65
MAPT P10636 1/20 0.65
PTGS2 P35354 1/20 0.65
HTT P42858 1/20 0.65
MAPK8 P45983 1/20 0.65
NTRK2 Q16620 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
ALDH1A1 P00352 1/20 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
SCHEMBL4586274 1.00 IDO1 (0.71) IDO1TDO2IDO2APAF1NPC1
SCHEMBL9115231 0.83 TDO2 (1.00) IDO1TDO2IDO2APAF1NPC1
SCHEMBL31680506 0.83 TDO2 (1.00) IDO1TDO2IDO2APAF1NPC1
SCHEMBL6808751 0.83 IDO1 (0.72) IDO1TDO2IDO2APAF1NPC1
SCHEMBL4593709 0.82 IDO1 (0.72) IDO1TDO2IDO2APAF1NPC1
SCHEMBL9103006 0.82 TDO2 (1.00) IDO1TDO2IDO2APAF1NPC1
SCHEMBL9100596 0.81 APAF1 (1.00) IDO1TDO2IDO2APAF1NPC1
SCHEMBL9099548 0.81 TDO2 (0.74) IDO1TDO2IDO2APAF1NPC1
SCHEMBL9222306 0.81 IDO1 (1.00) IDO1TDO2IDO2APAF1NPC1
Tryptanthrin SCHEMBL29359262 0.80 TDO2 (1.00) IDO1TDO2IDO2APAF1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4514804-A1 TRYPTANTHRIN DERIVATIVES AND USES THEREOF Viscient Bio, Inc. (US) 2025-03-05 EP disclosed
CN-119487031-A Tryptanthrin derivatives and uses thereof 威森特生物公司 2025-02-18 CN disclosed
WO-2023211977-A1 TRYPTANTHRIN DERIVATIVES AND USES THEREOF VISCIENT BIO, INC. (US) 2023-11-02 WO disclosed