SCHEMBL11904697

SCHEMBL11904697

C#CN(C)c1ccc2c(=O)n3c(nc2c1)C(=O)c1cc(Cl)ccc1-3

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 2/20 0.60
IDO1 P14902 15/20 0.57
TDO2 P48775 11/20 0.49
IDO2 Q6ZQW0 9/20 0.49
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
MITF O75030 1/20 0.44
HSP90AA1 P07900 1/20 0.44
LMNA P02545 1/20 0.41
NTRK1 P04629 1/20 0.41
ALOX5 P09917 1/20 0.41
MAPT P10636 1/20 0.41
PTGS2 P35354 1/20 0.41
HTT P42858 1/20 0.41
MAPK8 P45983 1/20 0.41
NTRK2 Q16620 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL9235681 0.82 APAF1 (0.56) APAF1IDO1TDO2IDO2KMT2A
SCHEMBL9233005 0.82 APAF1 (0.58) APAF1IDO1TDO2IDO2KMT2A
SCHEMBL4586352 0.81 APAF1 (0.57) APAF1IDO1TDO2IDO2KMT2A
SCHEMBL4586346 0.81 APAF1 (0.60) APAF1IDO1TDO2IDO2KMT2A
SCHEMBL9105478 0.79 APAF1 (0.57) APAF1IDO1TDO2IDO2KMT2A
SCHEMBL26858212 0.79 TDO2 (0.70) APAF1IDO1TDO2IDO2KMT2A
SCHEMBL4586093 0.78 APAF1 (0.71) APAF1IDO1TDO2IDO2KMT2A
SCHEMBL9100596 0.76 APAF1 (1.00) APAF1IDO1TDO2IDO2KMT2A
SCHEMBL9107582 0.76 APAF1 (0.51) APAF1IDO1TDO2IDO2KMT2A
SCHEMBL24513483 0.75 IDO1 (0.71) APAF1IDO1TDO2IDO2KMT2A

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-1594524-B1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-08-15 EP claimed