SCHEMBL9744258

SCHEMBL9744258

Nc1c(C(=O)O)ccc(F)c1C(=O)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX12 P18054 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
HTT P42858 2/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
NOD2 Q9HC29 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
PRKCI P41743 1/20 0.43

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
SCHEMBL11582559 0.83 GAA (0.64) GAAALDH1A1MEN1KMT2ANPC1
SCHEMBL17651620 0.78 CASP7 (0.44) GAAALDH1A1MEN1KMT2ACYP3A4
SCHEMBL30739610 0.78 GAA (0.62) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL20051587 0.78 GAA (0.62) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL30739749 0.77 JAK2 (0.71) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL10536291 0.76 ALDH1A1 (0.56) GAAALDH1A1MEN1KMT2ANPC1
SCHEMBL16346420 0.76 GAA (0.59) GAAALDH1A1MEN1KMT2ANPC1
SCHEMBL12189650 0.75 MEN1 (0.70) GAAALDH1A1MEN1KMT2ANPC1
SCHEMBL28093812 0.74 G6PD (0.40) GAAALDH1A1MEN1KMT2ACYP3A4
SCHEMBL5684674 0.73 ALDH1A1 (0.51) GAAALDH1A1MEN1KMT2ANPC1

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
US-5093364-A 5-FLUOROANTHRANILIC FUNGICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-03-03 US disclosed
EP-0360417-A2 Derivatives of 4-fluoroanthranilic acid and their use as fungicides SCHERING AGROCHEMICALS LIMITED (GB) 1990-03-28 EP disclosed