SCHEMBL28831706

SCHEMBL28831706

NC(C(=O)O)c1ccccc1OC(F)F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.40
NR1I2 O75469 1/20 0.40
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 1/20 0.38
DRD1 P21728 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HTR1E P28566 1/20 0.37
S1PR3 Q99500 1/20 0.37

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
SCHEMBL25245395 0.83 IRAK4 (0.53) L3MBTL1KMT2AHTTPOLBMEN1
SCHEMBL8749509 0.80 KMT2A (0.53) L3MBTL1KMT2ASMN1; SMN2HTTPOLB
SCHEMBL30550438 0.80 KMT2A (0.53) L3MBTL1KMT2ASMN1; SMN2HTTPOLB
SCHEMBL3645158 0.80 KMT2A (0.53) L3MBTL1KMT2ASMN1; SMN2HTTPOLB
SCHEMBL12665837 0.80 KMT2A (0.53) L3MBTL1KMT2ASMN1; SMN2HTTPOLB
SCHEMBL18304343 0.79 PTGS2 (0.47) L3MBTL1KMT2ASMN1; SMN2HTTPOLB
SCHEMBL16796804 0.79 L3MBTL1 (0.40) L3MBTL1KMT2ASMN1; SMN2HTTPOLB
SCHEMBL9537251 0.77 KMT2A (0.42) L3MBTL1KMT2ASMN1; SMN2HTTPOLB
SCHEMBL24044801 0.77 MEN1 (0.48) KMT2AMEN1LMNA
SCHEMBL909291 0.76 KMT2A (0.44) L3MBTL1KMT2ASMN1; SMN2HTTPDE4A

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-105814048-B Fused tricyclic benzimidizole derivatives as TNF active regulators UCB生物制药私人有限公司 2018-03-27 CN disclosed
CN-105814048-A Fused tricyclic imidazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed