SCHEMBL8055705

SCHEMBL8055705

O=Cc1c(Cl)ccc2c1C(=O)c1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.47
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
S100A4 P26447 3/20 0.43
DNMT1 P26358 2/20 0.42
IDO1 P14902 1/20 0.42
DNMT3L Q9UJW3 1/20 0.42
DNMT3A Q9Y6K1 1/20 0.42
MAPT P10636 5/20 0.41
MAOA P21397 5/20 0.41
PTPRC P08575 3/20 0.41
THRB P10828 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.41
RECQL P46063 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CES2 O00748 1/20 0.41

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
SCHEMBL3702862 0.82 ALDH1A1 (0.45) ADORA2AMEN1KMT2AALDH1A1TDP1
SCHEMBL22233095 0.77 ADORA2A (0.53) ADORA2AMEN1KMT2AALDH1A1TDP1
SCHEMBL308115 0.74 ADORA2A (0.76) ADORA2AMEN1KMT2AALDH1A1TDP1
SCHEMBL7469082 0.73 MAPT (0.53) MEN1KMT2AALDH1A1TDP1S100A4
SCHEMBL8764869 0.73 ALDH1A1 (0.47) ADORA2AMEN1KMT2AALDH1A1TDP1
SCHEMBL19299392 0.73 DNMT1 (0.50) ADORA2AMEN1KMT2AALDH1A1TDP1
SCHEMBL8671883 0.72 ADORA2A (0.57) ADORA2AMEN1KMT2AALDH1A1S100A4
SCHEMBL1532068 0.71 MAPT (0.62) MEN1KMT2AALDH1A1TDP1MAPT
SCHEMBL19299398 0.71 PTPRC (0.55) ADORA2AMEN1KMT2AALDH1A1S100A4
SCHEMBL583089 0.69 ADORA2A (0.53) ADORA2AMEN1KMT2AALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817767-B1 BICYCLIC AMINE DERIVATIVES AND THEIR USE AS ANTI-PSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 2000-05-24 EP disclosed
US-6008219-A Bicyclic amine derivatives and their use as anti-psychotic agents SMITHKLINE BEECH P.L.C. (GB) 1999-12-28 US disclosed
EP-0817767-A1 BICYCLIC AMINE DERIVATIVES AND THEIR USE AS ANTI-PSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1998-01-14 EP disclosed
WO-1996030333-A1 BICYCLIC AMINE DERIVATIVES AND THEIR USE AS ANTI-PSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1996-10-03 WO disclosed