SCHEMBL6204950

SCHEMBL6204950

O=C(NCC1COc2ccccc2O1)c1c[nH]c2ccccc2c1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
NPSR1 Q6W5P4 1/20 0.67
HSD17B10 Q99714 1/20 0.67
MAPT P10636 2/20 0.64
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HPGD P15428 3/20 0.58
MTNR1A P48039 1/20 0.57
LMNA P02545 2/20 0.56
TSHR P16473 2/20 0.54
ALDH1A1 P00352 4/20 0.52
MAPK1 P28482 2/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 2/20 0.49

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
SCHEMBL25338024 0.80 MAPT (0.81) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6206331 0.78 HPGD (0.63) MEN1KMT2ANPSR1HSD17B10MAPT
SCHEMBL7834305 0.76 MAPT (1.00) MEN1KMT2ANPSR1MAPTRAB9A
SCHEMBL15902251 0.76 MAPT (0.55) MAPT
SCHEMBL7202212 0.74 MTNR1A (1.00) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6205142 0.73 KDM4E (0.70) MEN1KMT2ANPSR1HSD17B10MAPT
Hydrochloric Acid SCHEMBL11028253 0.72 MTNR1A (0.97) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL20147105 0.72 CFTR (0.66) LMNAPOLBL3MBTL1
SCHEMBL22393113 0.72 HPGD (0.76) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1567604 0.72 MTNR1A (0.76) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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