SCHEMBL7951689

SCHEMBL7951689

CCc1ccc(-n2c(=O)c3c[nH]c4ccccc4n-3c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
RXFP1 Q9HBX9 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
PGR P06401 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
CFTR P13569 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
STING1 Q86WV6 1/20 0.38
PDGFRB P09619 1/20 0.37
MAPK8 P45983 1/20 0.37
TP53 P04637 1/20 0.37
PTGS2 P35354 1/20 0.36
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7949715 0.90 PGR (0.40) POLBRXFP1APOBEC3GPGRMAPK8
SCHEMBL7941792 0.85 SMN1; SMN2 (0.43) POLBRXFP1PGRSMN1; SMN2MAPK1
SCHEMBL7941798 0.85 PGR (0.46) PGRMAPK1MAPK8GAA
SCHEMBL7949717 0.84 MAPT (0.53) RXFP1SMN1; SMN2MAPK1ADORA3TP53
SCHEMBL7951665 0.83 LMNA (0.40) PGRSMN1; SMN2MAPK1ADORA3MAPK8
SCHEMBL7941785 0.83 LMNA (0.39) POLBRXFP1APOBEC3GPGRSMN1; SMN2
SCHEMBL7949731 0.83 HSP90AA1 (0.41) POLBPGRSMN1; SMN2MAPK1ADORA3
SCHEMBL7953535 0.82 METAP2 (0.47) POLBPGRADORA3TP53CTSV
SCHEMBL7953520 0.82 MAPT (0.42) POLBPGRSMN1; SMN2ADORA3CTSV
SCHEMBL7953532 0.82 MAPT (0.51) SMN1; SMN2MAPK1ADORA3TP53

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 9 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-B1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2000-07-12 EP claimed
EP-0555391-A1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1993-08-18 EP claimed
US-5130430-A Anxiety, sleep disorders or seizures NEUROGEN CORPORATION (US) 1992-07-14 US 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
EP-0555391-B1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2000-07-12 EP disclosed
US-5744602-A PSYCHOLOGICAL DISORDERS, ANTICONVULSANTS NEUROGEN CORPORATION (US) 1998-04-28 US disclosed
US-5130430-A Anxiety, sleep disorders or seizures NEUROGEN CORPORATION (US) 1992-07-14 US disclosed