SCHEMBL29922210

SCHEMBL29922210

O=C(O)c1cc(Br)ccc1C(=O)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
MYC P01106 1/20 0.42
NR4A1 P22736 1/20 0.42
SORT1 Q99523 15/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GPR35 Q9HC97 1/20 0.41
APEX1 P27695 1/20 0.41

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
SCHEMBL26733219 0.93 KDM4E (0.50) KDM4EGLAMYCNR4A1SORT1
SCHEMBL618056 0.80 KDM4E (0.65) KDM4EGLAMYCNR4A1SORT1
SCHEMBL30833732 0.79 DGAT1 (0.58)
SCHEMBL1173693 0.79 DGAT1 (0.44) KDM4EGLA
SCHEMBL12490665 0.79 HTT (0.45)
SCHEMBL13427 0.79 DGAT1 (0.58)
SCHEMBL4441828 0.78 KDM4E (0.63) KDM4EGLAMYCNR4A1SORT1
SCHEMBL24252313 0.77 ALDH1A1 (0.47) KDM4E
SCHEMBL4841620 0.75 CPS1 (0.52) KDM4E
SCHEMBL22823915 0.74 HPGD (0.56) KDM4E

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-2022188735-A1 HETEROCYCLIC COMPOUNDS AS HPK1 INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2022-09-15 WO disclosed