SCHEMBL8098010

SCHEMBL8098010

O=C1Nc2cc(-c3ccccc3)ccc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 1.00
MAOB P27338 7/20 1.00
CDC7 O00311 2/20 0.55
ROCK2 O75116 2/20 0.55
MAP4K4 O95819 2/20 0.55
CDK2 P24941 2/20 0.55
GSK3B P49841 2/20 0.55
CLK4 Q9HAZ1 2/20 0.55
IRAK4 Q9NWZ3 2/20 0.55
PRKACA P17612 1/20 0.55
CES1 P23141 1/20 0.55
TGM2 P21980 1/20 0.53
MEN1 O00255 1/20 0.52
APAF1 O14727 1/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
XBP1 P17861 1/20 0.52
PTBP1 P26599 1/20 0.52

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
SCHEMBL2789935 0.85 MAOA (1.00) MAOAMAOBCES1TGM2MEN1
Tannin Pyrogallol SCHEMBL28906902 0.85 MAOA (0.80) MAOAMAOBMEN1LMNAMAPT
Isatin SCHEMBL28299080 0.84 MAOA (0.72) MAOAMAOBMEN1APAF1NPC1
Biphenyl SCHEMBL1897547 0.82 MAOA (0.83) MAOAMAOBMEN1LMNAMAPT
Isatin SCHEMBL28636865 0.81 MAOA (0.80) MAOAMAOBMEN1LMNAMAPT
Tannin Pyrogallol SCHEMBL29283471 0.77 MAOA (0.67) MAOAMAOBMEN1LMNAMAPT
SCHEMBL5873949 0.76 SMN1; SMN2 (0.65) MAOAMAOBCDC7ROCK2MAP4K4
SCHEMBL22314930 0.76 CES1 (0.64) MAOAMAOBCES1TGM2PDE3B
Isatin SCHEMBL28365971 0.76 MAOA (0.95) MAOAMAOBCES1TGM2MEN1
SCHEMBL1276074 0.75 TDP2 (0.61) MAOAMAOBCDC7ROCK2MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828342-B2 Isatin derivatives, pharmaceutical compositions thereof, and methods of use thereof CITY OF HOPE (US) 2017-11-28 US disclosed
EP-0747354-B1 3-Substituted oxindole derivatives as potassium channel modulators BRISTOL MYERS SQUIBB CO (US) 2000-08-16 EP disclosed
US-5602169-A USEFUL IN REDUCING NEURONAL DAMAGE DURING ISCHEMIC STROKE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-02-11 US disclosed
EP-0747354-A1 3-Substituted oxindole derivatives as potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed
US-5565483-A ADMINISTERING AS THERAPY FOR ISCHEMIA, CONVULSIONS OR ASTHMA BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-15 US disclosed