SCHEMBL6205541

SCHEMBL6205541

O=C(NCc1ccc(Cn2ccnc2)cc1)c1c[nH]c2ccccc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP19A1 P11511 1/20 0.52
TBXAS1 P24557 1/20 0.52
ADORA2A P29274 5/20 0.52
CFTR P13569 1/20 0.51
SNCA P37840 1/20 0.49
POLB P06746 2/20 0.48
NAMPT P43490 1/20 0.48
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ADORA1 P30542 2/20 0.47

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
SCHEMBL6204733 0.88 SNCA (0.62) SMN1; SMN2TBXAS1ADORA2ASNCAPOLB
SCHEMBL6207242 0.85 ADORA2A (0.47) ADORA2ASNCAADORA1
SCHEMBL6204863 0.84 POLB (0.68) MEN1KMT2ASMN1; SMN2SNCAPOLB
SCHEMBL6206094 0.83 SNCA (0.56) SMN1; SMN2TBXAS1SNCAPOLBLMNA
SCHEMBL6229147 0.82 MEN1 (0.73) MEN1KMT2ASMN1; SMN2LMNAL3MBTL1
Hydrochloric Acid SCHEMBL6204777 0.82 MEN1 (0.71) MEN1KMT2ASMN1; SMN2LMNAL3MBTL1
SCHEMBL6204872 0.81 POLB (0.47) MEN1KMT2ASMN1; SMN2ADORA2APOLB
SCHEMBL6818435 0.80 POLB (0.67) MEN1KMT2ASMN1; SMN2ADORA2ACFTR
SCHEMBL6205660 0.80 ADORA2A (0.68) SMN1; SMN2ADORA2ACFTRPOLBNPC1
SCHEMBL6206694 0.79 WDR5 (0.47) ADORA2APOLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177177-B1 SUBSTITUTED 4-OXO-QUINOLINE-3-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2005-02-23 EP claimed
US-6413956-B1 AGONISTS, ANTAGONISTS OR INVERSE AGONISTS AND LOCALIZATION PROBES FOR GAMMA AMINOBUTYRIC ACID BRAIN RECEPTORS; ANXIETY, DEPRESSION, DOWN SYNDROME, SLEEP AND SEIZURE DISORDERS, OVERDOSE WITH BENZODIAZEPINE DRUGS AND MEMORY ENHANCEMENT NEUROGEN CORPORATION 2002-07-02 US claimed
EP-1177177-B1 SUBSTITUTED 4-OXO-QUINOLINE-3-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2005-02-23 EP disclosed
US-6413956-B1 AGONISTS, ANTAGONISTS OR INVERSE AGONISTS AND LOCALIZATION PROBES FOR GAMMA AMINOBUTYRIC ACID BRAIN RECEPTORS; ANXIETY, DEPRESSION, DOWN SYNDROME, SLEEP AND SEIZURE DISORDERS, OVERDOSE WITH BENZODIAZEPINE DRUGS AND MEMORY ENHANCEMENT NEUROGEN CORPORATION 2002-07-02 US disclosed