SCHEMBL28041712

SCHEMBL28041712

CC(C)(C)n1cc(C(=O)O)nc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
ALOX15 P16050 2/20 0.33
TSHR P16473 2/20 0.33
ACMSD Q8TDX5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HIF1A Q16665 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PTPN1 P18031 1/20 0.31
TBXAS1 P24557 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
MCL1 Q07820 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
SCHEMBL375420 0.75 RXFP1 (0.45) RXFP1ALDH1A1KDM4EPTGS1PTGS2
SCHEMBL25274273 0.72 RXFP1 (0.42) RXFP1ALDH1A1KDM4EPTGS1PTGS2
SCHEMBL28041713 0.70 RXFP1 (0.41) RXFP1ALDH1A1KDM4EPTGS1PTGS2
SCHEMBL16935848 0.67 GABRA2 (0.46) ALDH1A1KDM4EPTGS1PTGS2ALOX15
SCHEMBL18040232 0.66 RXFP1 (0.38) RXFP1PTGS1PTGS2
SCHEMBL18040239 0.66 RXFP1 (0.37) RXFP1ALDH1A1KDM4EPTGS1PTGS2
SCHEMBL17979392 0.64 KDM4E (0.37) RXFP1ALDH1A1KDM4EPTGS1PTGS2
SCHEMBL16935797 0.64 GABRA2 (0.40) RXFP1ALDH1A1KDM4EPTGS1PTGS2
SCHEMBL18040241 0.63 RXFP1 (0.36) RXFP1ALDH1A1KDM4EPTGS1PTGS2
SCHEMBL1331255 0.63 GRN (0.43) ALDH1A1KDM4ELMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105209467-B Imidazopyrrolidinone derivatives and their use in the treatment of disease 诺华股份有限公司 2018-06-08 CN disclosed
CN-105209467-A Imidazopyrrolidinone derivatives and their use in the treatment of disease NOVARTIS AG 2015-12-30 CN disclosed