SCHEMBL7861110

SCHEMBL7861110

CCOC(CNC(=O)c1ccc(Br)cc1N1C=COC1)OCC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
ATM Q13315 1/20 0.38
MAPK1 P28482 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
HPGD P15428 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
EPHX1 P07099 1/20 0.34
LMNA P02545 1/20 0.33
DRD2 P14416 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
SCHEMBL6314167 0.75 HPGD (0.47) ADORA2AATMMAPK1L3MBTL1TDP1
SCHEMBL6513070 0.69 MAPK1 (0.56) ATMMAPK1L3MBTL1ALDH1A1KMT2A
SCHEMBL25284100 0.65 TMEM97 (0.47) MAPK1L3MBTL1ALDH1A1MAPTTDP1
SCHEMBL20505282 0.65 HPGD (0.49) L3MBTL1ALDH1A1MAPTTDP1KMT2A
SCHEMBL20797039 0.64 LMNA (0.40) L3MBTL1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL22864698 0.63 ADORA2A (0.41) ADORA2AATMMAPK1L3MBTL1ALDH1A1
SCHEMBL2927270 0.62 TMEM97 (0.49) L3MBTL1ALDH1A1KMT2ANPSR1SMN1; SMN2
SCHEMBL2924440 0.62 TMEM97 (0.49) L3MBTL1ALDH1A1KMT2ANPSR1SMN1; SMN2
SCHEMBL694128 0.62 ESRRG (0.48) ADORA2AATMMAPK1L3MBTL1ALDH1A1
SCHEMBL6810401 0.61 ATM (0.63) ATMMAPK1L3MBTL1ALDH1A1MAPT

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-1086097-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER INC. (US) 2001-03-28 EP disclosed
WO-1999064415-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 1999-12-16 WO disclosed