SCHEMBL29134428

SCHEMBL29134428

O=C(O)C1C2Cc3c(Br)cccc3C21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.41
EDNRB P24530 9/20 0.41
HDAC4 P56524 1/20 0.41
FABP5 Q01469 1/20 0.38
GID4 Q8IVV7 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
CASP6 P55212 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
CYP1A2 P05177 1/20 0.32

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
SCHEMBL1721723 0.76 ALDH1A1 (0.47) EDNRAEDNRBHDAC4FABP5GID4
SCHEMBL12749373 0.73 KDM1A (0.50) EDNRAEDNRBFABP5
SCHEMBL1478222 0.73 KDM1A (0.50) EDNRAEDNRBFABP5
SCHEMBL16450274 0.73 KDM1A (0.50) EDNRAEDNRBFABP5
SCHEMBL16844584 0.72 AGTR2 (0.47) FABP5ALDH1A1
SCHEMBL16844583 0.72 AGTR2 (0.47) FABP5ALDH1A1
SCHEMBL16844599 0.72 AGTR2 (0.47) FABP5ALDH1A1
SCHEMBL1477468 0.71 KDM1A (0.55) EDNRAEDNRBHDAC4KDM4EPOLB
SCHEMBL1477853 0.71 KDM1A (0.55) EDNRAEDNRBHDAC4KDM4EPOLB
SCHEMBL1477851 0.71 KDM1A (0.55) EDNRAEDNRBHDAC4KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 EP disclosed
CN-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 CN disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed