SCHEMBL28211599

SCHEMBL28211599

O=[N+]([O-])c1cccc(NCF)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
MEN1 O00255 2/20 0.57
POLB P06746 2/20 0.57
KMT2A Q03164 2/20 0.57
DDX3X O00571 1/20 0.57
HTT P42858 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
ALDH1A1 P00352 3/20 0.55
ALOX12 P18054 2/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
BLM P54132 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
MMP2 P08253 1/20 0.50

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
SCHEMBL16943226 0.88 MAPT (0.56) MAPTMEN1POLBKMT2ADDX3X
SCHEMBL5880840 0.86 ALDH1A1 (0.56) MAPTMEN1POLBKMT2ADDX3X
SCHEMBL730213 0.86 MAPT (0.62) MAPTMEN1POLBKMT2ADDX3X
SCHEMBL29689011 0.85 KMT2A (0.61) MAPTMEN1POLBKMT2ADDX3X
SCHEMBL2010242 0.83 MAPT (0.56) MAPTMEN1POLBKMT2ADDX3X
SCHEMBL30067720 0.83 KMT2A (0.58) MAPTMEN1POLBKMT2ADDX3X
SCHEMBL3214047 0.83 KMT2A (0.58) MAPTMEN1POLBKMT2ADDX3X
SCHEMBL8223354 0.83 MEN1 (0.54) MAPTMEN1POLBKMT2ADDX3X
SCHEMBL29780605 0.83 MEN1 (0.54) MAPTMEN1POLBKMT2ADDX3X
SCHEMBL4611265 0.82 ALDH1A1 (0.52) MAPTMEN1POLBKMT2ADDX3X

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-107840826-A 1H-indazole derivatives and application thereof as IDO (intermediate bonded oxygen) inhibitor 西华大学 2018-03-27 CN disclosed
CN-107805221-A Method for preparing 1H-indazole derivative 西华大学 2018-03-16 CN disclosed