SCHEMBL3673887

SCHEMBL3673887

NC(=O)c1cc(-c2ccc(CCO)cc2)sc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.63
GAA P10253 5/20 0.49
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HPGD P15428 3/20 0.49
MAPT P10636 4/20 0.48
GFER P55789 1/20 0.48
ALOX15 P16050 6/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
CHEK1 O14757 5/20 0.46
ADORA1 P30542 1/20 0.46
JAK2 O60674 2/20 0.42
EIF2AK2 P19525 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL3508652 0.88 IKBKB (0.67) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL10052251 0.83 IKBKB (0.57) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL3677871 0.80 TSHR (0.44) IKBKBMEN1KMT2ACHEK1JAK2
SCHEMBL3507771 0.80 IKBKB (0.73) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL1428734 0.79 IKBKB (0.58) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL1428022 0.78 IKBKB (0.71) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL1428039 0.78 IKBKB (0.71) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL5898698 0.78 IKBKB (0.71) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL3512558 0.78 IKBKB (0.57) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL3510525 0.78 IKBKB (1.00) IKBKBGAAALDH1A1MEN1KMT2A

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-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed