SCHEMBL22360439

SCHEMBL22360439

c1ccc2c(c1)NC1c3ccccc3SC21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
ALOX15 P16050 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
USP2 O75604 1/20 0.35
ESR1 P03372 1/20 0.35
THRB P10828 1/20 0.35
PTPN7 P35236 1/20 0.35
RECQL P46063 1/20 0.35
ESR2 Q92731 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
CYP1A2 P05177 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL14101426 0.71 IDO1 (0.34) IDO1ALOX15KDM4EHPGDHSD17B10
SCHEMBL18905201 0.71 NLRP3 (0.42) IDO1ALOX15KDM4EHPGDHSD17B10
SCHEMBL23603684 0.69 IDO1 (0.34) IDO1ALOX15POLBTDP1USP2
SCHEMBL2567183 0.67 ALDH1A1 (0.33) KDM4EHPGDHSD17B10MEN1KMT2A
SCHEMBL21135349 0.65 L3MBTL1 (0.45) IDO1ALOX15KDM4EHPGDHSD17B10
SCHEMBL19032599 0.64 NLRP3 (0.38) IDO1ALOX15KDM4EHPGDHSD17B10
SCHEMBL22652986 0.64 HTR2A (0.39) IDO1ALOX15KDM4EHPGDHSD17B10
SCHEMBL21259391 0.62 IDO1 (0.42) IDO1MEN1KMT2ARAB9ANPC1
SCHEMBL21808704 0.61 IDO1 (0.61) IDO1ALOX15KDM4EHPGDHSD17B10
SCHEMBL4129380 0.61 IDO1 (0.55) IDO1ALOX15KDM4EHPGDHSD17B10

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-2020166825-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-08-20 WO disclosed