SCHEMBL9534063

SCHEMBL9534063

Cn1nnc2c(N)c(N)ccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.39
KEAP1 Q14145 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HCAR3 P49019 1/20 0.35
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.30
MAPT P10636 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
SCHEMBL31500726 0.81 KDM4E (0.37) SLC9A1KEAP1LMNAKDM4ETSHR
SCHEMBL31474375 0.76 SLC9A1 (0.48) SLC9A1KEAP1LMNAKDM4ETSHR
SCHEMBL20058628 0.71 SLC9A1 (0.33) SLC9A1KEAP1LMNAKDM4ETSHR
SCHEMBL18520803 0.71 LMNA (0.53) SLC9A1KEAP1LMNAKDM4ETSHR
SCHEMBL22084730 0.69 KEAP1 (0.41) SLC9A1KEAP1LMNAKDM4ETSHR
SCHEMBL9534207 0.68 TDO2 (0.50) SLC9A1KEAP1LMNAHCAR3MAPT
SCHEMBL29442714 0.67 KEAP1 (0.38) SLC9A1KEAP1LMNAKDM4ETSHR
SCHEMBL304209 0.66 NPC1 (0.40) SLC9A1KEAP1LMNAKDM4ETSHR
SCHEMBL19008532 0.65 SLC9A1 (0.46) SLC9A1KEAP1LMNAKDM4ETSHR
SCHEMBL16830895 0.65 KDM4E (0.37) SLC9A1KEAP1LMNAKDM4ETSHR

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
EP-0348872-B1 FUSED DIHYDROXYQUINOXALINES AND THEIR USE AS GLUTAMATE ANTAGONISTS NOVO NORDISK A/S (DK) 1993-09-29 EP disclosed
US-5109001-A Treating hyperactivity of excitatory neurotransmitters NOVO NORDISK A/S (DK) 1992-04-28 US disclosed
US-5079250-A TRICYCLIC HETEROCYCLIC DIOLS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-01-07 US disclosed
US-5075306-A Nervous system, psychological disorders NOVO NORDISK A/S (DK) 1991-12-24 US disclosed
US-5057516-A Nervous system disorders NOVO NORDISK A/S (DK) 1991-10-15 US disclosed
US-4977155-A Nervous system disorders A/S FERROSAN (DK) 1990-12-11 US disclosed
EP-0348872-A1 Fused dihydroxyquinoxalines and their use as glutamate antagonists NOVO NORDISK A/S (DK) 1990-01-03 EP disclosed