SCHEMBL7839280

SCHEMBL7839280

COC(=O)c1c[nH]c2c(CBr)cccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 6/20 0.65
ALDH1A1 P00352 4/20 0.54
LMNA P02545 4/20 0.54
MAPT P10636 4/20 0.54
HTT P42858 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CREBBP Q92793 1/20 0.54
MAP2K1 Q02750 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
UBE2N P61088 1/20 0.46
PIM1 P11309 1/20 0.44

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
SCHEMBL17113293 0.81 NR4A2 (0.70) NR4A2ALDH1A1LMNAMAPTHTT
SCHEMBL2036909 0.79 NR4A2 (1.00) NR4A2ALDH1A1LMNAMAPTHTT
SCHEMBL9936554 0.78 NR4A2 (0.70) NR4A2ALDH1A1LMNAMAPTHTT
SCHEMBL2034149 0.78 NR4A2 (0.70) NR4A2ALDH1A1LMNAMAPTHTT
SCHEMBL2040417 0.78 NR4A2 (1.00) NR4A2ALDH1A1LMNAMAPTHTT
SCHEMBL9936453 0.74 NR4A2 (0.65) NR4A2ALDH1A1LMNAMAPTHTT
SCHEMBL2035481 0.74 NR4A2 (0.65) NR4A2ALDH1A1LMNAMAPTHTT
SCHEMBL26185203 0.74 NR4A2 (0.41) NR4A2ALDH1A1LMNAMAPTHTT
SCHEMBL7004599 0.73 ALDH1A1 (0.62) NR4A2ALDH1A1LMNAMAPTHTT
SCHEMBL30945155 0.73 ALDH1A1 (0.67) ALDH1A1LMNAMAPTHTTKDM4E

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
EP-1140946-A2 QUINOLINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2001-10-10 EP disclosed
WO-2000035919-A2 QUINOLINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2000-06-22 WO disclosed