SCHEMBL16198560

SCHEMBL16198560

NCCc1cccn1-c1nccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
GLA P06280 1/20 0.51
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 2/20 0.43
GAA P10253 2/20 0.43
PKM P14618 2/20 0.42
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
OPRD1 P41143 2/20 0.39
MEN1 O00255 1/20 0.39
OPRM1 P35372 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.33
PDE10A Q9Y233 1/20 0.33
MAPT P10636 1/20 0.33
G6PD P11413 1/20 0.33
MPI P34949 1/20 0.33
EP300 Q09472 1/20 0.33
KAT2A Q92830 1/20 0.33

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
SCHEMBL16198294 0.91 LMNA (0.49) LMNAGLAALDH1A1MAPK1GAA
SCHEMBL17520238 0.81 LMNA (0.54) LMNAGLAALDH1A1MAPK1GAA
SCHEMBL20801631 0.80 LMNA (0.50) LMNAGLAALDH1A1MAPK1GAA
SCHEMBL20801636 0.79 LMNA (0.49) LMNAGLAALDH1A1MAPK1GAA
SCHEMBL16198293 0.78 ALDH1A1 (0.48) LMNAGLAALDH1A1MAPK1GAA
SCHEMBL20801630 0.77 LMNA (0.50) LMNAGLAALDH1A1MAPK1GAA
SCHEMBL16198563 0.77 LMNA (0.54) LMNAGLAALDH1A1MAPK1GAA
SCHEMBL16198569 0.76 LMNA (0.46) LMNAGLAALDH1A1MAPK1GAA
SCHEMBL16198106 0.75 GPX4 (0.48) ALDH1A1GAAKDM4EHSD17B10TAAR1
SCHEMBL20801634 0.75 LMNA (0.48) LMNAGLAALDH1A1MAPK1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2988742-A1 THIAZOLES AND USES THEREOF AbbVie Inc. (US) 2016-03-02 EP claimed
WO-2014176268-A1 THIAZOLES AND USES THEREOF ABBVIE INC. (US) 2014-10-30 WO claimed
EP-2988742-A1 THIAZOLES AND USES THEREOF AbbVie Inc. (US) 2016-03-02 EP disclosed
WO-2014176268-A1 THIAZOLES AND USES THEREOF ABBVIE INC. (US) 2014-10-30 WO disclosed