SCHEMBL31395652

SCHEMBL31395652

CNc1cccc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 2/20 0.66
RAPGEF4 Q8WZA2 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 4/20 0.55
ALDH1A1 P00352 3/20 0.55
GAA P10253 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TP53 P04637 1/20 0.54
RAB9A P51151 2/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KIF11 P52732 2/20 0.51
IDO1 P14902 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
MMP2 P08253 1/20 0.50
FFAR1 O14842 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
SCHEMBL1420853 1.00 IDH2 (0.66) IDH2RAPGEF4L3MBTL1MAPTALDH1A1
Hydrochloric Acid SCHEMBL29734740 0.98 IDH2 (0.64) IDH2RAPGEF4L3MBTL1MAPTALDH1A1
Hydrochloric Acid SCHEMBL1426717 0.98 IDH2 (0.64) IDH2RAPGEF4L3MBTL1MAPTALDH1A1
SCHEMBL16676605 0.88 IDH2 (0.54) IDH2RAPGEF4L3MBTL1MAPTALDH1A1
SCHEMBL26218452 0.84 IDH2 (0.50) IDH2RAPGEF4L3MBTL1MAPTGAA
Isophthalic Acid SCHEMBL27987889 0.83 AKR1C3 (0.62) IDH2L3MBTL1MAPTMEN1KMT2A
SCHEMBL20320380 0.83 IDH2 (0.57) IDH2RAPGEF4L3MBTL1MAPTALDH1A1
SCHEMBL26603622 0.83 IDH2 (0.49) IDH2RAPGEF4L3MBTL1MAPTALDH1A1
SCHEMBL25785360 0.83 IDH2 (0.49) IDH2RAPGEF4L3MBTL1MAPTALDH1A1
SCHEMBL29748950 0.82 MAPT (0.58) IDH2RAPGEF4L3MBTL1MAPTALDH1A1

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-119751317-A Preparation method of N- ((phenylamino) carbonyl) sulfamoyl fluoride 江南大学 2025-04-04 CN disclosed