SCHEMBL6665515

SCHEMBL6665515

S=C(NN=Cc1c[c]ccc1)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
RRM1 P23921 4/20 0.48
RRM2 P31350 4/20 0.48
RRM2B Q7LG56 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
IDO1 P14902 1/20 0.45
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 2/20 0.43
HDAC8 Q9BY41 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
SCHEMBL6153460 0.73 RRM1 (0.56) MAPTRRM1RRM2RRM2BSMN1; SMN2
SCHEMBL6154732 0.72 ALDH1A1 (0.68) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6154622 0.72 SMN1; SMN2 (0.55) MAPTRRM1RRM2RRM2BSMN1; SMN2
SCHEMBL4555003 0.69 IDO1 (0.78) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6686025 0.67 EPHX1 (0.67) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL11651251 0.66 NPC1 (0.68) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL5450586 0.65 ALDH1A1 (0.71) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL12453319 0.65 RAB9A (0.68) RRM1RRM2RRM2BSMN1; SMN2KMT2A
SCHEMBL28797194 0.65 RAB9A (0.68) RRM1RRM2RRM2BSMN1; SMN2KMT2A
SCHEMBL10660750 0.64 IDO1 (0.68) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1

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
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO disclosed