SCHEMBL28669232

SCHEMBL28669232

[N-]=[N+]=NCc1nc(Cl)cc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
KAT2B Q92831 1/20 0.32
KMT2A Q03164 1/20 0.31
HTR2A P28223 1/20 0.30
NQO2 P16083 1/20 0.30
KDM4E B2RXH2 1/20 0.30
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
SCHEMBL15692617 0.75 KDM4E (0.39) KAT2BKMT2AKDM4EALDH1A1
SCHEMBL16516540 0.73 L3MBTL1 (0.44) L3MBTL1KMT2AHTR2ANQO2KDM4E
SCHEMBL28327541 0.73 HTR2A (0.48) L3MBTL1KMT2AHTR2ANQO2KDM4E
SCHEMBL14693670 0.73 L3MBTL1 (0.44) L3MBTL1KMT2AHTR2ANQO2KDM4E
SCHEMBL16008667 0.73 L3MBTL1 (0.44) L3MBTL1KMT2AHTR2ANQO2KDM4E
SCHEMBL13591064 0.73 HTR2A (0.48) L3MBTL1KAT2BKMT2AHTR2AKDM4E
SCHEMBL28328752 0.73 L3MBTL1 (0.44) L3MBTL1KMT2AHTR2ANQO2KDM4E
SCHEMBL28363469 0.73 KMT2A (0.43) KMT2AKDM4EALDH1A1
SCHEMBL10527114 0.69 L3MBTL1 (0.40) L3MBTL1KMT2AHTR2ANQO2KDM4E
SCHEMBL30326110 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113651820-A Urea compounds for dual IDO and TDO inhibitors 正大天晴药业集团股份有限公司 2021-11-16 CN disclosed
CN-110382500-B Urea compounds for dual IDO and TDO inhibitors 正大天晴药业集团股份有限公司 2021-08-10 CN disclosed
CN-110382500-A Carbamide compounds for IDO and TDO double inhibitor 正大天晴药业集团股份有限公司 2019-10-25 CN disclosed