SCHEMBL9532220

SCHEMBL9532220

Oc1nc2ccc3ncsc3c2nc1O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DYRK1A Q13627 1/20 0.31
CDK1 P06493 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 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
SCHEMBL19118597 0.77 ALDH1A1 (0.45) KDM4ENPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL2722669 0.73 ALDH1A1 (0.46) KDM4ENPC1RAB9AHKDC1TDP1
SCHEMBL5154375 0.69 ALDH1A1 (0.45) KDM4ENPC1RAB9AHKDC1TDP1
Bromide SCHEMBL8554868 0.68 ALDH1A1 (0.43) KDM4ENPC1RAB9AHKDC1TDP1
SCHEMBL2402369 0.68 PRMT5 (0.39) KDM4ENPC1RAB9ATDP1L3MBTL1
Hydrochloric Acid SCHEMBL28958656 0.67 LMNA (0.52) KDM4ENPC1RAB9ATDP1L3MBTL1
SCHEMBL9980542 0.67 EGFR (0.37) ALDH1A1HSD17B10
SCHEMBL3902435 0.67 CDK1 (0.33) KDM4ENPC1RAB9AHKDC1TDP1
SCHEMBL9534246 0.66 FTO (0.31) CDK1CCNA2CDK2
SCHEMBL9533609 0.66 CSNK2A1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5075306-A Nervous system, psychological disorders NOVO NORDISK A/S (DK) 1991-12-24 US claimed
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