SCHEMBL28892158

SCHEMBL28892158

Cc1c(F)cc(F)c2cccnc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 9/20 0.55
NPC1 O15118 3/20 0.55
HSP90AA1 P07900 2/20 0.55
KDM4E B2RXH2 5/20 0.50
MPI P34949 1/20 0.50
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
PKM P14618 1/20 0.46
IDO1 P14902 1/20 0.46
RECQL P46063 1/20 0.46
TDO2 P48775 1/20 0.46
BLM P54132 1/20 0.46
CASP6 P55212 1/20 0.46
CCR1 P32246 4/20 0.46

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
SCHEMBL18515967 0.87 L3MBTL1 (0.53) L3MBTL1NPC1HSP90AA1KDM4EMPI
SCHEMBL14824894 0.87 CCR1 (0.58) L3MBTL1NPC1HSP90AA1KDM4EMPI
SCHEMBL7743581 0.84 L3MBTL1 (0.50) L3MBTL1NPC1HSP90AA1KDM4EMPI
SCHEMBL18515671 0.84 L3MBTL1 (0.50) L3MBTL1NPC1HSP90AA1KDM4EMPI
SCHEMBL18980483 0.84 KDM4E (0.53) L3MBTL1NPC1HSP90AA1KDM4EMPI
SCHEMBL28892803 0.84 L3MBTL1 (0.54) L3MBTL1NPC1HSP90AA1KDM4EMPI
SCHEMBL18515966 0.84 L3MBTL1 (0.50) L3MBTL1NPC1HSP90AA1KDM4EMPI
SCHEMBL27002527 0.80 L3MBTL1 (0.46) L3MBTL1NPC1HSP90AA1KDM4EMPI
SCHEMBL29496005 0.77 KDM4E (0.50) L3MBTL1NPC1HSP90AA1KDM4EMPI
SCHEMBL16207365 0.77 KDM4E (0.62) L3MBTL1NPC1HSP90AA1KDM4EMPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN disclosed