SCHEMBL30539775

SCHEMBL30539775

CCOC(=O)C(=O)c1c[nH]c2cc(Br)ccc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.56
GABRB2 P47870 2/20 0.56
GABRB1 P18505 1/20 0.56
GABRA3 P34903 1/20 0.56
NR4A2 P43354 2/20 0.47
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL22445235 1.00 GABRA1 (0.56) GABRA1GABRB2GABRB1GABRA3NR4A2
SCHEMBL1993247 0.89 GABRA1 (0.67) GABRA1GABRB2GABRB1GABRA3NR4A2
SCHEMBL6490095 0.86 GABRA1 (0.70) GABRA1GABRB2GABRB1GABRA3NR4A2
SCHEMBL6029933 0.85 NR4A2 (0.57) GABRA1GABRB2GABRB1GABRA3NR4A2
SCHEMBL1557626 0.84 ALDH1A1 (0.47) GABRA1GABRB2NR4A2MEN1LMNA
SCHEMBL4801726 0.84 NR4A2 (0.60) NR4A2MAPT
SCHEMBL1557688 0.83 MAPT (0.64) NR4A2MEN1LMNAMAPTKMT2A
SCHEMBL1559282 0.81 MEN1 (0.54) GABRA1GABRB2NR4A2MEN1KMT2A
SCHEMBL29790938 0.80 GABRA1 (0.58) GABRA1GABRB2GABRA3NR4A2LMNA
SCHEMBL368012 0.80 GABRA1 (0.58) GABRA1GABRB2GABRA3NR4A2LMNA

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-112521387-B NLRP3 modulators 先天肿瘤免疫公司 2023-08-22 CN disclosed