SCHEMBL23627157

SCHEMBL23627157

N=C(/N=C(\N)c1cccc2c1oc1ccccc12)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.39
HTR2B P41595 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GLA P06280 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
CDC14B O60729 1/20 0.33
EPM2A O95278 1/20 0.33
PTPRC P08575 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
ACP1 P24666 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN7 P35236 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33

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
SCHEMBL21191645 0.90 PRSS1 (0.43) ALOX5HTR2BALDH1A1GLAHDAC1
SCHEMBL14979553 0.89 ALOX5 (0.39) ALOX5HTR2BALDH1A1GLAHDAC1
SCHEMBL24907678 0.85 ALDH1A1 (0.43) HTR2BALDH1A1GLAKMT2AMAPT
SCHEMBL26064331 0.81 AHR (0.41) ALDH1A1GLAMAPTNPC1CDC14B
SCHEMBL24689619 0.78 NR4A1 (0.46) ALDH1A1HDAC8KMT2AMAPTNPC1
SCHEMBL25008980 0.78 WDR5 (0.40) HTR2BALDH1A1GLACDC14BPTPN1
SCHEMBL22924252 0.78 ALOX5 (0.48) ALOX5ALDH1A1GLAHDAC1HDAC8
SCHEMBL27254640 0.77 HTR2B (0.56) HTR2BALDH1A1KMT2AMAPTNPC1
SCHEMBL24971831 0.77 ALDH1A1 (0.43) HTR2BALDH1A1GLAKMT2AMAPT
SCHEMBL23820419 0.76 ALOX5 (0.38) ALOX5ALDH1A1GLACDC14BCDC14A

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
WO-2021136277-A1 HETEROCYCLIC COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed