SCHEMBL4540201

SCHEMBL4540201

NC(=O)Cc1ccc(-c2ccccc2)c(C(=O)N2CCOCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
PLAUR Q03405 3/20 0.51
ALDH1A1 P00352 5/20 0.50
TSHR P16473 5/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
RECQL P46063 1/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX5AP P20292 1/20 0.45
FEN1 P39748 1/20 0.45

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
SCHEMBL4540207 0.85 MAPT (0.53) MAPTPLAURALDH1A1TSHRHTT
SCHEMBL7885342 0.81 ALDH1A1 (0.57) PLAURALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL3996738 0.78 TSHR (0.73) PLAURALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL5859144 0.74 EPHX1 (0.43) PLAURALDH1A1TSHRLMNAKDM4E
SCHEMBL28174998 0.72 HPGD (0.51) MAPTALDH1A1TSHRLMNAHTT
SCHEMBL7885351 0.71 ALDH1A1 (0.60) MAPTPLAURALDH1A1TSHRSMN1; SMN2
SCHEMBL19816945 0.70 ALDH1A1 (0.52) PLAURALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL7121916 0.69 SMN1; SMN2 (0.77) ALDH1A1TSHRHTTSMN1; SMN2GAA
SCHEMBL5349455 0.69 SMN1; SMN2 (0.67) ALDH1A1TSHRHTTSMN1; SMN2GAA
SCHEMBL19380613 0.68 MAPT (1.00) MAPTTSHRHTTSMN1; SMN2KDM4E

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-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO disclosed