SCHEMBL28312049

SCHEMBL28312049

COc1ccc(Cc2c(C(N)=O)c(=O)n(Cc3ccc(OC)cc3)c3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ EDNRB P24530 1/20 0.51
▸ HDAC1 Q13547 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TP53 P04637 2/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ERCC5 P28715 1/20 0.48
▸ FEN1 P39748 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ GABRA5 P31644 1/20 0.47

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
SCHEMBL27806349 0.82 KDM4E (0.54) P2RX4KDM4EMAPK1HTTSMN1; SMN2
SCHEMBL27836563 0.78 P2RX4 (0.61) P2RX4KDM4EMAPK1HTTSMN1; SMN2
SCHEMBL14780906 0.77 FEN1 (0.54) P2RX4KDM4EMAPK1HTTSMN1; SMN2
SCHEMBL27806397 0.76 P2RX4 (0.51) P2RX4MAPK1SMN1; SMN2TP53LMNA
SCHEMBL1061448 0.75 L3MBTL1 (0.65) P2RX4KDM4EMAPK1HTTSMN1; SMN2
SCHEMBL1440727 0.74 EGLN1 (0.67) P2RX4KDM4EMAPK1HTTSMN1; SMN2
SCHEMBL14160793 0.74 P2RX4 (1.00) P2RX4MAPK1SMN1; SMN2TDP1L3MBTL1
SCHEMBL18356958 0.73 P2RX4 (0.82) P2RX4KDM4EMAPK1HTTSMN1; SMN2
SCHEMBL30616070 0.73 P2RX4 (0.82) P2RX4KDM4EMAPK1HTTSMN1; SMN2
SCHEMBL24247594 0.73 TP53 (0.65) P2RX4MAPK1SMN1; SMN2HDAC1TP53

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
CN-110115365-A The adjusting that actinism receptor and relative ligand are carried out 西诺米克斯公司 2019-08-13 — — CN disclosed
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