SCHEMBL9815623

SCHEMBL9815623

OOc1cnc2ccccc2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 10/20 0.66
ALDH1A1 P00352 6/20 0.66
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
HPGD P15428 2/20 0.58
ATM Q13315 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PDE10A Q9Y233 1/20 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
SCHEMBL11030583 0.82 HTT (0.77) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL8880504 0.79 HTT (1.00) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4526835 0.78 HTT (0.68) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL9282533 0.78 HTT (0.60) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL6002434 0.78 HTT (0.60) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL25899364 0.78 HTT (0.55) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL10904809 0.77 HTT (0.74) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL30534581 0.77 HTT (0.74) HTTALDH1A1MEN1KMT2ARAB9A
Formaldehyde SCHEMBL28251520 0.77 HTT (0.69) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL3151982 0.76 MEN1 (0.65) HTTALDH1A1MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0284781-B1 PROCESS FOR MAKING A 2,3-DIHYDROXYQUINOXALINE INTEROX Société Anonyme (BE) 1991-10-16 EP disclosed
US-4925941-A OXIDATION WITH HYDROGEN PEROXIDE, SELENIUM OXIDE CATALYST INTEROX (SOCIETE ANONYME) (BE) 1990-05-15 US disclosed
EP-0284781-A1 Process for making a 2,3-dihydroxyquinoxaline INTEROX Société Anonyme (BE) 1988-10-05 EP disclosed