SCHEMBL8908307

SCHEMBL8908307

O=c1[nH]c2c([nH]c1=O)C(P(=O)(O)O)c1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.40
HSD17B2 P37059 1/20 0.32
APAF1 O14727 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
PAX8 Q06710 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL8907689 0.77 SERPINE1 (0.36) APAF1POLBRAB9APAX8KDM4E
SCHEMBL8907884 0.73 S100A4 (0.36) APAF1POLBRAB9APAX8KDM4E
SCHEMBL11412083 0.73 ACP3 (0.61) ACP3POLB
SCHEMBL7185584 0.69 ACP3 (0.47) ACP3APAF1POLBRAB9AKDM4E
SCHEMBL8909107 0.67 TSHR (0.33) POLBRAB9AKDM4EALDH1A1
SCHEMBL8907599 0.67 CYP1A2 (0.38) POLBRAB9APAX8KDM4EALDH1A1
SCHEMBL6435923 0.67 ACP3 (0.68) ACP3
SCHEMBL8908933 0.65 HTR2C (0.40) POLBALDH1A1
SCHEMBL8908407 0.64 ALDH1A1 (0.39) POLBALDH1A1
SCHEMBL8908855 0.64 CYP1A2 (0.44) APAF1POLBRAB9AALDH1A1

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 1 patent. 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 disclosed