SCHEMBL9621167

SCHEMBL9621167

CCc1nc2c(nc1O)CCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 2/20 0.33
GAA P10253 2/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
APAF1 O14727 1/20 0.31
NSD2 O96028 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL10373403 0.83 MEN1 (0.43) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL9621309 0.70 NPC1 (0.43) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL9621285 0.70 HTR2C (0.41) MEN1KMT2ACYP1A2HTTCYP3A4
SCHEMBL12507792 0.70 MEN1 (0.65) MEN1KMT2ACYP1A2GAAGLA
SCHEMBL9621350 0.69 KDM4E (0.44) HTTKDM4EALDH1A1TDP1
SCHEMBL9621372 0.67 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL16098979 0.65 KDM4E (0.34) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL9014933 0.65 NPC1 (0.34) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL12204078 0.64 KDM4E (0.43) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL9270177 0.63 NOS3 (0.41) MEN1KMT2ANPC1RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252670-B1 2-SUBSTITUTED ALKOXY-3-SUBSTITUTED-PYRAZINES TOYO JOZO KABUSHIKI KAISHA (JP) 1992-01-15 EP disclosed
US-5001237-A 2-substituted alkoxy-3-substituted-pyrazines TOYO JOZO KABUSHIKI KAISHA (JP) 1991-03-19 US disclosed
EP-0242957-B1 1-SUBSTITUTED ALKYL-1, 2-DIHYDRO-2-PYRAZINONE DERIVATIVES TOYO JOZO KABUSHIKI KAISHA (JP) 1990-09-12 EP disclosed
US-4894453-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS TOYO JOZO KABUSHIKI KAISHA (JP) 1990-01-16 US disclosed
US-4877877-A PLATELET AGGREGATION INHIBITORS, VASODILATORS AND ANTI-LIPOPEROXIDE GENERATORS TOYO JOZO KABUSHIKI KAISHA (JP) 1989-10-31 US disclosed
US-4877875-A ANTIAGGLOMERANTS, VASODILATORS TOYO JOZO KABUSHIKI KAISHA (JP) 1989-10-31 US disclosed
US-4870176-A ANTI-LIPOPEROXIDE, VASODILATION, ANTICOAGULANTS TOYO JOZO KABUSHIKI KAISHA (JP) 1989-09-26 US disclosed
US-4837319-A VASODILATORS, ANTICOAGULANTS TOYO JOZO KABUSHIKI KAISHA (JP) 1989-06-06 US disclosed
EP-0252670-A2 2-Substituted alkoxy-3-substituted-pyrazines TOYO JOZO KABUSHIKI KAISHA (JP) 1988-01-13 EP disclosed
EP-0242957-A1 1-Substituted Alkyl-1, 2-Dihydro-2-Pyrazinone derivatives TOYO JOZO KABUSHIKI KAISHA (JP) 1987-10-28 EP disclosed