SCHEMBL28664909

SCHEMBL28664909

Cc1c(CCl)cccc1-c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 5/20 0.50
PDCD1 Q15116 4/20 0.50
SUCNR1 Q9BXA5 1/20 0.45
PTGS2 P35354 2/20 0.40
FFAR4 Q5NUL3 1/20 0.39
CYP2C19 P33261 1/20 0.38
CRHR1 P34998 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PTGS1 P23219 1/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.35
HTR7 P34969 1/20 0.35
TGFBR1 P36897 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL30084702 0.85 CD274 (0.69) CD274PDCD1PTGS1
SCHEMBL7107915 0.85 CD274 (0.69) CD274PDCD1PTGS1
SCHEMBL20539492 0.82 CD274 (0.47) CD274PDCD1TSHRALDH1A1
SCHEMBL1559894 0.80 CYP2C19 (0.49) SUCNR1PTGS2FFAR4CYP2C19SLC6A4
SCHEMBL13176495 0.76 NPC1 (0.47) CD274PDCD1SUCNR1PTGS2CYP2C19
SCHEMBL5981884 0.76 FFAR4 (0.52) CD274PDCD1SUCNR1PTGS2FFAR4
SCHEMBL30531243 0.76 FFAR1 (0.42) CD274PDCD1FFAR4SLC6A4SLC6A3
SCHEMBL6914998 0.75 TSHR (0.38) CD274PDCD1TSHRHSD17B10ALDH1A1
SCHEMBL28356514 0.73 CD274 (0.44) CD274PDCD1FFAR4NPC1TSHR
SCHEMBL4456694 0.73 SLC6A4 (0.42) CD274PDCD1SUCNR1PTGS2CYP2C19

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-112920132-B Small-molecule non-nucleoside compound serving as immunomodulator 齐鲁师范学院 2023-08-15 CN disclosed
CN-112920132-A Small molecule non-nucleoside compound as immunomodulator 齐鲁师范学院 2021-06-08 CN disclosed