SCHEMBL29559272

SCHEMBL29559272

Oc1cnc2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.53
PDE10A Q9Y233 1/20 0.52
ALDH1A1 P00352 5/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 2/20 0.52
ALOX15 P16050 1/20 0.52
KDM4E B2RXH2 5/20 0.48
GPR3 P46089 1/20 0.48
MAPT P10636 4/20 0.48
GAA P10253 3/20 0.46
HSP90AA1 P07900 2/20 0.46
HSP90AB1 P08238 2/20 0.46
POLB P06746 1/20 0.46
HTT P42858 2/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALOX12 P18054 1/20 0.44
MAPK10 P53779 1/20 0.44

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
SCHEMBL42594 1.00 BCHE (0.53) BCHEPDE10AALDH1A1HPGDHSD17B10
SCHEMBL27567277 0.98 BCHE (0.52) BCHEPDE10AALDH1A1HPGDHSD17B10
Methane SCHEMBL27925661 0.98 BCHE (0.52) BCHEPDE10AALDH1A1HPGDHSD17B10
SCHEMBL27344673 0.98 BCHE (0.52) BCHEPDE10AALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL27656763 0.98 BCHE (0.52) BCHEPDE10AALDH1A1HPGDHSD17B10
SCHEMBL28290991 0.98 BCHE (0.52) BCHEPDE10AALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL27991312 0.95 BCHE (0.50) BCHEPDE10AALDH1A1HPGDHSD17B10
SCHEMBL27949159 0.88 NPC1 (0.49) BCHEPDE10AALDH1A1HPGDHSD17B10
Fumaric Acid SCHEMBL5758433 0.84 ALDH1A1 (0.53) BCHEALDH1A1HPGDHSD17B10ALOX15
Maleic Acid SCHEMBL5758418 0.84 ALDH1A1 (0.53) BCHEALDH1A1HPGDHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118388419-A Preparation method of 2-chloro-7-nitroquinoxaline 武威广达科技有限公司 2024-07-26 CN disclosed
EP-3604288-C0 REGIOSELECTIVE ONE-STEP PROCESS FOR SYNTHESIZING 2-HYDROXYQUINOXALINE DEV CT BIOTECHNOLOGY (TW) 2024-04-10 EP disclosed
EP-3604288-B1 REGIOSELECTIVE ONE-STEP PROCESS FOR SYNTHESIZING 2-HYDROXYQUINOXALINE DEV CT BIOTECHNOLOGY (TW) 2024-04-10 EP disclosed
EP-3567041-B1 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF IMPACT THERAPEUTICS SHANGHAI INC (CN) 2023-12-27 EP disclosed
EP-3567041-A9 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2022-04-20 EP disclosed