SCHEMBL19976447

SCHEMBL19976447

Cc1nc(-c2ccc(S(=O)(=O)NCCC(C)(I)C(=O)OCc3ccccc3)cc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PHGDH O43175 5/20 0.45
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
STAT3 P40763 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40

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
SCHEMBL17000511 0.80 MAPT (0.52) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL16964049 0.78 MAPT (0.54) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL17000548 0.74 MAPT (0.56) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL16964168 0.71 MAPT (0.51) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL16991074 0.69 MAPT (0.54) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL16964226 0.68 ALDH1A1 (0.57) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL16964173 0.67 MAPT (0.51) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL16964202 0.66 MAPT (0.53) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL18359009 0.66 POLB (0.47) MEN1KMT2ANPC1RAB9APHGDH
SCHEMBL19976508 0.66 MAPT (0.64) MAPTMEN1KMT2ANPC1RAB9A

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
US-9920042-B2 Compounds for use in the treatment of mycobacterial infections UNIVERSITE DE DROIT ET DE LA SANTE DE LILLE 2 (FR) 2018-03-20 US disclosed