SCHEMBL21391961

SCHEMBL21391961

C(=N/Cc1cccnc1)\c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
G6PC1 P35575 1/20 0.54
TP53 P04637 1/20 0.52
RAB9A P51151 1/20 0.52
MAPK10 P53779 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
ADORA2A P29274 1/20 0.48
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8773053 1.00 ALDH1A1 (0.58) ALDH1A1G6PC1TP53RAB9AMAPK10
SCHEMBL8773057 1.00 ALDH1A1 (0.58) ALDH1A1G6PC1TP53RAB9AMAPK10
SCHEMBL9246213 0.91 TP53 (0.55) ALDH1A1G6PC1TP53RAB9AMAPK10
SCHEMBL7667162 0.91 G6PC1 (0.60) ALDH1A1G6PC1TP53RAB9AMAPK10
SCHEMBL7667155 0.91 G6PC1 (0.60) ALDH1A1G6PC1TP53RAB9AMAPK10
SCHEMBL9246218 0.91 TP53 (0.55) ALDH1A1G6PC1TP53RAB9AMAPK10
SCHEMBL30382410 0.83 KDM4E (0.55) ALDH1A1G6PC1RAB9ATAAR1POLB
SCHEMBL4253299 0.81 ALDH1A1 (0.67) ALDH1A1G6PC1RAB9ATAAR1POLB
SCHEMBL4253302 0.81 ALDH1A1 (0.67) ALDH1A1G6PC1RAB9ATAAR1POLB
SCHEMBL24154364 0.80 NPC1 (0.53) ALDH1A1RAB9ATAAR1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12023624-B2 Process and system for capture of carbon dioxide COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2024-07-02 US disclosed
US-20230256381-A1 PROCESS AND SYSTEM FOR CAPTURE OF CARBON DIOXIDE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2023-08-17 US disclosed
US-20230149850-A1 PROCESS FOR REGENERATING A LIQUID ABSORBENT COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2023-05-18 US disclosed
US-20230149850-A1 PROCESS FOR REGENERATING A LIQUID ABSORBENT COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2023-05-18 US disclosed
US-20220001325-A1 PROCESS FOR REGENERATING A LIQUID ABSORBENT COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2022-01-06 US disclosed
US-20210362090-A1 PROCESS AND SYSTEM FOR CAPTURE OF CARBON DIOXIDE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2021-11-25 US disclosed
US-11123684-B2 Process and system for capture of carbon dioxide COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2021-09-21 US disclosed
WO-2020220064-A1 PROCESS FOR REGENERATING A LIQUID ABSORBENT COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2020-11-05 WO disclosed
US-20190291044-A1 PROCESS AND SYSTEM FOR CAPTURE OF CARBON DIOXIDE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2019-09-26 US disclosed