SCHEMBL7948162

SCHEMBL7948162

Nc1ccccc1-n1c(=O)c2c[nH]c3ccccc3n-2c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.34
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
HSP90AA1 P07900 2/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
ATM Q13315 1/20 0.30
CCNE2 O96020 1/20 0.30
CDK4 P11802 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
SCHEMBL7947995 0.84 ALDH1A1 (0.38) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL7941798 0.81 PGR (0.46) GAAKMT2AKDM4EMEN1ATM
SCHEMBL7947998 0.80 ALDH1A1 (0.41) KMT2AKDM4EMEN1TP53HTT
SCHEMBL7949731 0.76 HSP90AA1 (0.41) GAAKMT2AKDM4EMEN1HTT
SCHEMBL7941792 0.76 SMN1; SMN2 (0.43) KMT2AKDM4ETP53HTTALDH1A1
SCHEMBL7951665 0.76 LMNA (0.40) GAAKMT2AKDM4EMEN1HTT
SCHEMBL7941785 0.76 LMNA (0.39) KMT2AHTTPOLB
SCHEMBL7949067 0.75 POLB (0.33) GAAKMT2AKDM4EMEN1HTT
SCHEMBL7947997 0.74 PGR (0.32) KMT2AMEN1HSP90AA1SIRT2SIRT1
SCHEMBL7949177 0.74 KDM4E (0.51) GAAKMT2AKDM4EMEN1TP53

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