SCHEMBL8635110

SCHEMBL8635110

CCOC(=O)N[C@@H]1Cc2ccccc2[C@H]1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.44
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
DRD2 P14416 1/20 0.40
GAA P10253 2/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL7375674 1.00 ATM (0.60) ATMSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL8642023 0.87 ATM (0.49) ATMSMN1; SMN2DRD2MEN1KMT2A
SCHEMBL8642025 0.87 ATM (0.49) ATMSMN1; SMN2DRD2MEN1KMT2A
SCHEMBL8642019 0.87 ATM (0.49) ATMSMN1; SMN2DRD2MEN1KMT2A
SCHEMBL14143095 0.83 ATM (0.68) ATMSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL7328550 0.82 EPHX2 (0.49) ATMSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL8635461 0.82 EPHX2 (0.49) ATMSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL10920653 0.81 PYGL (0.42) ATMMAPK1TSHRMEN1KMT2A
SCHEMBL4707056 0.81 PYGL (0.42) ATMMAPK1TSHRMEN1KMT2A
SCHEMBL8639617 0.80 ATM (0.55) ATMSMN1; SMN2NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773463-A DECALCIFICATION OF BRAIN DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 1998-06-30 US disclosed
US-4638066-A ANTIDEPRESSANTS BEECHAM GROUP P.L.C. (GB) 1987-01-20 US disclosed
EP-0088575-B1 PENTACYCLIC COMPOUNDS BEECHAM GROUP PLC (GB) 1986-12-30 EP disclosed
US-4585588-A ANTIDEPRESSANTS BEECHAM GROUP P.L.C. (GB) 1986-04-29 US disclosed
EP-0154298-A2 Treatment of diarrhoea BEECHAM GROUP PLC (GB) 1985-09-11 EP disclosed
US-4504480-A DIAZABENZOCYCLOHEPTAFLUORENE DERIVATRIVES, ANTIDEPRESSANTS BEECHAM GROUP P.L.C. (GB) 1985-03-12 US disclosed
EP-0088575-A2 Pentacyclic compounds BEECHAM GROUP PLC (GB) 1983-09-14 EP disclosed