SCHEMBL2638245

SCHEMBL2638245

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=S)N[C@@H]3CCCc4ccccc43)cs2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
AADAT Q8N5Z0 1/20 0.38
CCR1 P32246 1/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 3/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
PKM P14618 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36

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
SCHEMBL3465072 0.93 TSHR (0.44) GAAALDH1A1USP2MAPTAADAT
SCHEMBL3465075 0.93 TSHR (0.44) GAAALDH1A1USP2MAPTAADAT
SCHEMBL4623412 0.86 GAA (0.39) GAAALDH1A1CCR1TSHRKMT2A
SCHEMBL776596 0.86 GAA (0.39) GAAALDH1A1CCR1TSHRKMT2A
SCHEMBL16824567 0.86 GAA (0.40) GAACCR1TSHRLMNAPOLB
SCHEMBL3134752 0.86 GAA (0.43) GAAALDH1A1CCR1TSHRKMT2A
SCHEMBL4566459 0.86 GAA (0.43) GAAALDH1A1CCR1TSHRKMT2A
SCHEMBL1765621 0.86 GAA (0.41) GAAALDH1A1CCR1TSHRLMNA
SCHEMBL1765070 0.86 GAA (0.41) GAAALDH1A1CCR1TSHRLMNA
SCHEMBL1765072 0.86 GAA (0.41) GAAALDH1A1CCR1TSHRLMNA

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-2437604-A2 SYNERGISTIC FUNGICIDAL MIXTURES BASF SE (DE) 2012-04-11 EP claimed
WO-2010139656-A2 SYNERGISTIC FUNGICIDAL MIXTURES BASF SE (DE) 2010-12-09 WO claimed