SCHEMBL7079708

SCHEMBL7079708

CCCCNC(=N)SC(=O)NCCCC.N=C(NCc1ccccc1)SC(=O)NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.48
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
FAAH O00519 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GAA P10253 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL3074326 0.86 GAA (0.49) HDAC2POLBHPGDTSHRCYP2C19
SCHEMBL3067294 0.81 EPHX1 (0.45) TSHRHTT
SCHEMBL3070067 0.78 GAA (0.57) EPHX2HDAC2POLBHPGDTSHR
SCHEMBL7023299 0.76 LPL (0.52) EPHX2HDAC3POLBHPGDTSHR
SCHEMBL3421197 0.75 EPHX2 (0.73) EPHX2HDAC3HDAC1HDAC2POLB
SCHEMBL8805244 0.75 EPHX2 (0.51) EPHX2HDAC3HDAC1HDAC2POLB
SCHEMBL28801302 0.73 EPHX2 (0.49) EPHX2HDAC3HDAC1HDAC2POLB
SCHEMBL3066247 0.72 CYP2D6 (0.50) HPGDTSHRCYP2C19CYP1A2CYP2C9
Urea SCHEMBL717178 0.72 EPHX2 (0.67) EPHX2POLBHPGDTSHRHTT
SCHEMBL4985255 0.71 EPHX2 (0.71) EPHX2HPGDHTT

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-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed