SCHEMBL28218741

SCHEMBL28218741

CCCCc1ccc2c(Br)c3ccccc3c(Br)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.47
RORA P35398 1/20 0.43
RORC P51449 1/20 0.43
RORB Q92753 1/20 0.43
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
PTPN1 P18031 1/20 0.41
HTR1A P08908 1/20 0.40
GPR3 P46089 1/20 0.40
PSMB5 P28074 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DHODH Q02127 1/20 0.39
HSD11B1 P28845 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL14414376 0.87 PTGS2 (0.48) SKP2HTR1AGPR3
SCHEMBL20274701 0.85 RORA (0.50) SKP2RORARORCRORBCTSV
SCHEMBL14414377 0.79 HSD11B1 (0.43) RORARORCRORBCTSVCTSL
SCHEMBL1774311 0.79 RORA (0.49) SKP2RORARORCRORBGPR3
SCHEMBL21794328 0.78 NCEH1 (0.45) SKP2PTPN1HTR1APSMB5NPC1
SCHEMBL9165312 0.78 RORA (0.58) RORARORCRORBCTSVCTSL
SCHEMBL31236768 0.78 RORA (0.58) RORARORCRORBCTSVCTSL
SCHEMBL8376185 0.78 TDP1 (0.45) HTTCYP1A2CYP2D6CYP2C19CA1
SCHEMBL14555208 0.77 ALDH1A1 (0.37) RORARORCRORBPTPN1HTT
SCHEMBL19583366 0.76 CYP1A2 (0.61) SKP2RORARORCRORBCTSV

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-107973900-A A kind of poly- anthracene compound and its preparation method and application 华南理工大学 2018-05-01 CN disclosed