SCHEMBL19976508

SCHEMBL19976508

CNS(=O)(=O)c1ccc(-c2csc(C)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
HPGD P15428 2/20 0.60
ALDH1A1 P00352 3/20 0.59
HTT P42858 4/20 0.57
RAB9A P51151 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
LMNA P02545 2/20 0.57
TSHR P16473 1/20 0.57
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
KDM1A O60341 2/20 0.51
MAOA P21397 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
BLM P54132 1/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL956179 0.82 ALDH1A1 (0.64) MAPTHPGDALDH1A1HTTRAB9A
SCHEMBL19626644 0.82 HPGD (0.65) MAPTHPGDALDH1A1HTTRAB9A
SCHEMBL18358985 0.81 ALDH1A1 (0.62) MAPTHPGDALDH1A1HTTRAB9A
Hydrochloric Acid SCHEMBL16991024 0.79 ALDH1A1 (0.62) MAPTHPGDALDH1A1HTTRAB9A
SCHEMBL16601604 0.79 MAPT (0.77) MAPTHPGDALDH1A1HTTNPSR1
SCHEMBL16964226 0.79 ALDH1A1 (0.57) MAPTHPGDALDH1A1HTTRAB9A
SCHEMBL16964049 0.78 MAPT (0.54) MAPTHPGDALDH1A1HTTRAB9A
SCHEMBL16991074 0.78 MAPT (0.54) MAPTHPGDALDH1A1HTTRAB9A
SCHEMBL19627024 0.78 ALDH1A1 (0.72) MAPTHPGDALDH1A1HTTRAB9A
SCHEMBL16964202 0.77 MAPT (0.53) MAPTHPGDALDH1A1HTTRAB9A

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