SCHEMBL9621603

SCHEMBL9621603

CCc1nc(O)c(Cc2ccccc2)nc1CC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
LTB4R Q15722 2/20 0.40
HRH4 Q9H3N8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CALM1 P0DP23 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH1 P35367 1/20 0.39
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
GCGR P47871 1/20 0.38

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
SCHEMBL9435590 0.79 P2RX3 (0.44) LTB4RKDM4EALDH1A1HPGDCALM1
SCHEMBL7623426 0.77 MAOB (0.49) TP53HRH4KDM4EALDH1A1HPGD
SCHEMBL21306242 0.75 CALM1 (0.61) LTB4RHRH4KDM4EALDH1A1HPGD
SCHEMBL20543627 0.73 SMN1; SMN2 (0.41) ALDH1A1HPGDSMN1; SMN2
SCHEMBL9621246 0.72 GLA (0.43) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL9621285 0.71 HTR2C (0.41) LTB4RKDM4EALDH1A1CALM1BCL2
SCHEMBL9744009 0.71 SMN1; SMN2 (0.44) TP53KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4402741 0.71 ESR1 (0.59) KDM4EALDH1A1
SCHEMBL12843879 0.71 TP53 (0.46) TP53LTB4RKDM4ECALM1
SCHEMBL20087797 0.70 TP53 (0.41) TP53LTB4RHRH4KDM4ECALM1

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-4877875-A ANTIAGGLOMERANTS, VASODILATORS TOYO JOZO KABUSHIKI KAISHA (JP) 1989-10-31 US disclosed
US-4877877-A PLATELET AGGREGATION INHIBITORS, VASODILATORS AND ANTI-LIPOPEROXIDE GENERATORS 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