SCHEMBL20456325

SCHEMBL20456325

COCCCOc1cc([C@@H]2CCC(C)(C)C2=O)c(Br)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
REN P00797 2/20 0.33
CGAS Q8N884 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 3/20 0.32
SLC6A4 P31645 1/20 0.31
CHEK1 O14757 1/20 0.31
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL20456334 1.00 KDM4E (0.34) KDM4ERENCGASSMN1; SMN2NPC1
SCHEMBL20456137 0.84 REN (0.33) KDM4ERENSMN1; SMN2NPC1RAB9A
SCHEMBL20456139 0.84 REN (0.33) KDM4ERENSMN1; SMN2NPC1RAB9A
SCHEMBL20463491 0.84 REN (0.33) KDM4ERENSMN1; SMN2NPC1RAB9A
SCHEMBL20456081 0.84 REN (0.33) KDM4ERENSMN1; SMN2NPC1RAB9A
SCHEMBL19252777 0.80 HTR2C (0.39) CGASHPGDALDH1A1POLBL3MBTL1
SCHEMBL29613158 0.80 HTR2C (0.39) CGASHPGDALDH1A1POLBL3MBTL1
SCHEMBL20463810 0.76 KDM4E (0.34) KDM4ERENSMN1; SMN2NPC1RAB9A
SCHEMBL20456329 0.76 KDM4E (0.34) KDM4ERENCGASSMN1; SMN2NPC1
SCHEMBL20485497 0.76 REN (0.35) KDM4ERENSMN1; SMN2NPC1RAB9A

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-2018144605-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION GILEAD SCIENCES, INC. (US) 2018-08-09 WO disclosed