SCHEMBL12556136

SCHEMBL12556136

C[C@@H]1CN(c2nc(C#N)cs2)CCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.39
LRRK2 Q5S007 4/20 0.38
LMNA P02545 1/20 0.37
STK3 Q13188 1/20 0.36
STK26 Q9P289 1/20 0.36
NR3C2 P08235 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
F2RL3 Q96RI0 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
PRKDC P78527 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
SCHEMBL1932018 0.83 KDM4E (0.43) LRRK2LMNAJAK2JAK1TYK2
SCHEMBL1932021 0.83 KDM4E (0.43) LRRK2LMNAJAK2JAK1TYK2
SCHEMBL19051344 0.74 AR (0.69) ARLMNAALDH1A1MAPTHPGD
SCHEMBL5724437 0.72 JAK3 (0.35) ARJAK2JAK1TYK2JAK3
SCHEMBL2547518 0.72 HRH3 (0.47) AR
SCHEMBL2551286 0.71 ALDH1A1 (0.42) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL20298523 0.70 AR (0.43) ARLRRK2LMNANR3C2F2RL3
SCHEMBL25361933 0.69 LRRK2 (0.40) LRRK2STK3STK26NR3C2ALDH1A1
SCHEMBL21940791 0.69 LRRK2 (0.44) LRRK2STK3STK26ALDH1A1KDM4E
SCHEMBL21940294 0.69 LRRK2 (0.44) LRRK2STK3STK26ALDH1A1KDM4E

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
WO-2011064288-A1 MORPHOLINOTHIAZOLES AS ALPHA 7 POSITIVE ALLOSTERIC MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-03 WO disclosed