SCHEMBL28844658

SCHEMBL28844658

CCOC(=O)c1cc2c(Nc3ccc(OC)cc3)cc(NC(C)=O)cc2[nH]1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 18/20 0.76
TDO2 P48775 18/20 0.76
MMP13 P45452 1/20 0.55
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL28844676 0.90 IDO1 (0.78) IDO1TDO2MMP13
SCHEMBL28844770 0.89 IDO1 (0.73) IDO1TDO2MMP13
SCHEMBL28844851 0.87 IDO1 (0.74) IDO1TDO2MMP13
SCHEMBL29865092 0.87 IDO1 (0.78) IDO1TDO2MMP13KDM4ENPC1
SCHEMBL28844808 0.87 IDO1 (0.78) IDO1TDO2MMP13KDM4ENPC1
SCHEMBL28844708 0.86 IDO1 (1.00) IDO1TDO2
SCHEMBL28844692 0.86 IDO1 (0.60) IDO1TDO2MMP13
SCHEMBL28844836 0.86 IDO1 (0.56) IDO1TDO2MMP13
SCHEMBL29865066 0.85 IDO1 (0.78) IDO1TDO2MMP13
SCHEMBL29865372 0.85 IDO1 (0.78) IDO1TDO2MMP13

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-110483366-B Indole compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-09-16 CN disclosed