SCHEMBL30345083

SCHEMBL30345083

O=c1[nH]c2c(F)cccc2n1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.58
DAO P14920 2/20 0.55
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
TLR7 Q9NYK1 4/20 0.49
P2RX4 Q99571 1/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
PGR P06401 2/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNH2 Q12809 1/20 0.44

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
SCHEMBL23997220 1.00 HTR6 (0.58) HTR6DAOLMNAHTTTLR7
SCHEMBL3851027 0.83 HTR6 (0.59) HTR6DAOLMNAHTTTLR7
SCHEMBL4963836 0.81 HTR6 (0.58) HTR6DAOLMNAHTTTLR7
SCHEMBL14199028 0.81 HTR6 (0.58) HTR6DAOLMNAHTTTLR7
SCHEMBL3147188 0.81 DAO (0.58) DAOLMNAHTTMAPTPGR
SCHEMBL3537136 0.78 HDAC1 (0.64)
SCHEMBL3858995 0.77 HTR6 (0.53) HTR6DAOLMNAHTTTLR7
SCHEMBL3859399 0.77 DAO (0.53) HTR6DAOLMNAHTTTLR7
SCHEMBL3857250 0.77 HTR6 (0.68) HTR6DAOLMNAHTTTLR7
SCHEMBL30345034 0.76 HTR6 (0.81) HTR6LMNAHTTTLR7MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115836054-B IL4I1 inhibitors and methods of use 默沙东有限责任公司 2024-12-10 CN disclosed
CN-115836054-A IL4I1 inhibitors and methods of use 默沙东有限责任公司 2023-03-21 CN disclosed