SCHEMBL29323699

SCHEMBL29323699

COC(=O)c1ccc(Br)c2c1NC(=O)CO2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
ALOX5 P09917 1/20 0.37
DRD2 P14416 4/20 0.37
DRD4 P21917 4/20 0.37
DRD3 P35462 4/20 0.37
ADRB1 P08588 5/20 0.36
NR4A2 P43354 1/20 0.36
TSHR P16473 1/20 0.36
ADRB2 P07550 3/20 0.35
HTR2A P28223 1/20 0.34
CRBN Q96SW2 2/20 0.34
DDB1 Q16531 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
GRM5 P41594 1/20 0.34

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
SCHEMBL31156267 0.90 KDM4E (0.37) KDM4EGLAGAAALOX5DRD2
SCHEMBL29323701 0.76 KDM4E (0.36) KDM4EGLAGAAALOX5NR4A2
SCHEMBL984048 0.76 ALOX5 (0.57) KDM4EGLAGAAALOX5TSHR
SCHEMBL31056909 0.75 KDM4E (0.35) KDM4EGLAGAA
SCHEMBL31056959 0.75 SLC6A2 (0.34) KDM4EGLAGAAALOX5DRD2
SCHEMBL29324065 0.75 KDM4E (0.35) KDM4EGLAGAA
SCHEMBL29324068 0.75 SLC6A2 (0.34) KDM4EGLAGAAALOX5DRD2
SCHEMBL24776227 0.75 NR3C2 (0.48) KDM4EGLAGAAALOX5TSHR
SCHEMBL24775927 0.74 GRM5 (0.40) KDM4EGLAGAAALOX5GRM5
SCHEMBL24776228 0.74 GRM5 (0.46) KDM4EGLAGAAALOX5GRM5

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-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed