SCHEMBL31326499

SCHEMBL31326499

Cn1cncc1-c1ccccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 1.00
HPGDS O60760 1/20 0.47
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
LDLR P01130 1/20 0.44
PCSK9 Q8NBP7 1/20 0.44
HTR6 P50406 3/20 0.41
HTR2A P28223 2/20 0.41
FYN P06241 1/20 0.41
HTR2C P28335 1/20 0.41
HTR1A P08908 2/20 0.40
HTR7 P34969 2/20 0.40
DRD2 P14416 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39

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
SCHEMBL20646497 0.79 IDO1 (0.66) IDO1HPGDSMEN1ALDH1A1KMT2A
SCHEMBL1501923 0.77 IDO1 (0.67) IDO1HTR6HTR2AHTR1AHTR7
SCHEMBL1501988 0.77 IDO1 (0.63) IDO1KDM4EMEN1ALDH1A1MAPT
SCHEMBL1948762 0.76 IDO1 (0.69) IDO1KDM4EMEN1ALDH1A1MAPT
SCHEMBL16720659 0.76 IDO1 (0.61) IDO1HPGDSLDLRPCSK9HTR6
SCHEMBL3710027 0.75 HTR2C (0.61) IDO1HPGDSKDM4ELDLRPCSK9
SCHEMBL1133101 0.75 IDO1 (0.60) IDO1HPGDSALDH1A1MAPTLDLR
SCHEMBL21566711 0.75 IDO1 (0.60) IDO1HPGDSLDLRPCSK9HTR6
SCHEMBL1948414 0.75 IDO1 (1.00) IDO1KDM4EMEN1ALDH1A1MAPT
SCHEMBL19732321 0.73 IDO1 (0.57) IDO1HPGDSLDLRPCSK9HTR6

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-113166114-B Cyclic tetramer compounds as inhibitors of proprotein convertase subtilisin/KEXIN type 9 (PCSK 9) for the treatment of metabolic disorders 诺华股份有限公司 2025-01-03 CN disclosed