SCHEMBL8908304

SCHEMBL8908304

O=c1cnc2c([nH]1)-c1ccccc1C2O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.33
RAB9A P51151 4/20 0.33
TP53 P04637 2/20 0.33
NPC1 O15118 2/20 0.33
PKM P14618 2/20 0.33
STAT3 P40763 1/20 0.33
STAT1 P42224 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP2D6 P10635 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
TNKS2 Q9H2K2 3/20 0.31
POLB P06746 2/20 0.31
APAF1 O14727 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
SCHEMBL8907382 0.81 S100A4 (0.32) RAB9AKDM4ETNKS2POLBAPAF1
SCHEMBL9815972 0.67 PTPRC (0.42) SMN1; SMN2RAB9ANPC1ALDH1A1MEN1
SCHEMBL3802354 0.67 ALDH1A1 (0.39) SMN1; SMN2RAB9ATP53ALDH1A1CYP2D6
SCHEMBL8907689 0.67 SERPINE1 (0.36) SMN1; SMN2RAB9ATP53ALDH1A1CYP2D6
SCHEMBL8908233 0.66 KMT2A (0.41) ALDH1A1MEN1MAPTKMT2APOLB
SCHEMBL8908230 0.66 KMT2A (0.41) ALDH1A1MEN1MAPTKMT2APOLB
SCHEMBL6237073 0.65 POLB (0.58) RAB9AALDH1A1POLBAPAF1PAX8
SCHEMBL8908559 0.65 ALDH1A1 (0.53) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL13376141 0.64 SERPINE1 (0.47) ALDH1A1HSD17B10KDM4EMEN1MAPT
SCHEMBL14028594 0.64 SERPINE1 (0.47) ALDH1A1HSD17B10KDM4EMEN1MAPT

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
EP-0682657-B1 9H-INDENO[1,2-b]PYRAZINE-3(4H)-ONES AND 9H-INDENO[1,2-b]PYRAZINE-2,3(1H,4H)-DIONES AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1997-11-19 EP claimed
EP-0682657-A1 9H-INDENO[1,2-b]PYRAZINE-3(4H)-ONES AND 9H-INDENO[1,2-b]PYRAZINE-2,3(1H,4H)-DIONES AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1995-11-22 EP claimed
WO-1994018175-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-08-18 WO claimed
EP-0682657-B1 9H-INDENO[1,2-b]PYRAZINE-3(4H)-ONES AND 9H-INDENO[1,2-b]PYRAZINE-2,3(1H,4H)-DIONES AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1997-11-19 EP disclosed
US-5646146-A CENTRAL NERVOUS SYSTEM DISORDERS NOVO NORDISK A/S (DK) 1997-07-08 US disclosed
EP-0682657-A1 9H-INDENO[1,2-b]PYRAZINE-3(4H)-ONES AND 9H-INDENO[1,2-b]PYRAZINE-2,3(1H,4H)-DIONES AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1995-11-22 EP disclosed
US-5468748-A Nervous system and psychological disorders; antagonize glycine binding site on N-methylaspartic acid receptor complex NOVO NORDISK A/S (DK) 1995-11-21 US disclosed
WO-1994018175-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-08-18 WO disclosed