SCHEMBL28079948

SCHEMBL28079948

CCC(=O)c1[c]ccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HSP90AB1 P08238 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
PTGS1 P23219 1/20 0.33
DRD3 P35462 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAOB P27338 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HMGCR P04035 1/20 0.33
PARP1 P09874 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL28382631 0.79 ATM (0.42) GAAALDH1A1MAPTHSP90AB1L3MBTL1
SCHEMBL7584988 0.79 MAOB (0.38) ALDH1A1HPGDMAOBMAPK1
SCHEMBL10388340 0.78 ALDH1A1 (0.38) GAAALDH1A1MAPTHSP90AB1L3MBTL1
SCHEMBL27952340 0.78 TRPM8 (0.35) GAAALDH1A1MAPTHSP90AB1L3MBTL1
SCHEMBL10388490 0.76 PARP1 (0.45) GAAL3MBTL1HPGDKMT2AMEN1
SCHEMBL4023724 0.76 KDM4E (0.39) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL28294101 0.76 NR4A2 (0.41) GAAALDH1A1MAPTL3MBTL1HPGD
SCHEMBL3461270 0.74 CREBBP (0.41) L3MBTL1LMNAHPGDSMN1; SMN2RXFP1
SCHEMBL7574364 0.74 ALDH1A1 (0.46) ALDH1A1MAPTLMNAHPGDKMT2A
SCHEMBL26613848 0.72 HDAC3 (0.37) GAAALDH1A1MAPTHSP90AB1L3MBTL1

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-105814022-B Condensed bicyclic heteroaromatic derivative as TNF active regulators UCB生物制药私人有限公司 2018-09-28 CN disclosed
CN-105814022-A Fused bicyclic heteroaromatic derivatives as modulators of tnf activity UCB生物制药私人有限公司 2016-07-27 CN disclosed