SCHEMBL7947997

SCHEMBL7947997

O=c1c2c[nH]c3ccccc3n-2c(=O)n1-c1ccsc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.32
MPI P34949 1/20 0.32
KDR P35968 1/20 0.32
HSP90AA1 P07900 4/20 0.32
REN P00797 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
AURKA O14965 1/20 0.30
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ADORA2A P29274 1/20 0.30

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
SCHEMBL7941798 0.83 PGR (0.46) PGRMPIMEN1KMT2ALMNA
SCHEMBL7951665 0.78 LMNA (0.40) PGRMPIMEN1KMT2ANPC1
SCHEMBL7941785 0.78 LMNA (0.39) PGRMPIKMT2ARAB9ALMNA
SCHEMBL7949731 0.78 HSP90AA1 (0.41) PGRHSP90AA1MEN1KMT2ALMNA
SCHEMBL7941792 0.78 SMN1; SMN2 (0.43) PGRKMT2ALMNA
SCHEMBL7949067 0.77 POLB (0.33) MEN1KMT2ANPC1RAB9ACDK5
SCHEMBL7949177 0.76 KDM4E (0.51) MPIMEN1KMT2ARAB9ALMNA
SCHEMBL7951689 0.75 POLB (0.46) PGRNPC1
SCHEMBL7949708 0.75 MAPT (0.47) MPIMEN1KMT2ALMNAL3MBTL1
SCHEMBL7941781 0.75 ADORA3 (0.43) MPILMNAADORA2A

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-6268496-B1 GAMMA-AMINOBUTYRIC ACID RECEPTOR LIGANDS NEUROGEN CORPORATION 2001-07-31 US claimed
EP-0555391-A1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1993-08-18 EP claimed
WO-1992007853-A1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1992-05-14 WO claimed
US-6268496-B1 GAMMA-AMINOBUTYRIC ACID RECEPTOR LIGANDS NEUROGEN CORPORATION 2001-07-31 US disclosed
US-5744602-A PSYCHOLOGICAL DISORDERS, ANTICONVULSANTS NEUROGEN CORPORATION (US) 1998-04-28 US disclosed
EP-0555391-A1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1993-08-18 EP disclosed
WO-1992007853-A1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1992-05-14 WO disclosed