SCHEMBL7079366

SCHEMBL7079366

CCCCNC(=N)OC(=S)NCCCC.N=C(NCc1ccccc1)OC(=S)NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
HTT P42858 3/20 0.42
LMNA P02545 1/20 0.42
EPHX2 P34913 1/20 0.42
ALOX12 P18054 4/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 4/20 0.41
ALPL P05186 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
IDO1 P14902 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL3080698 0.86 ALOX12 (0.55) POLBLMNAALOX12HPGDALDH1A1
SCHEMBL3071878 0.81 ACHE (0.38) HTTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL8805244 0.75 EPHX2 (0.51) POLBHTTLMNAEPHX2ALOX12
SCHEMBL3068928 0.74 ALOX12 (0.65) POLBLMNAALOX12HPGDALDH1A1
SCHEMBL7079369 0.74 GRIN2D (0.44) POLBHTTLMNAEPHX2ALDH1A1
SCHEMBL28801302 0.73 EPHX2 (0.49) POLBHTTLMNAEPHX2HPGD
SCHEMBL3079840 0.72 ALOX12 (0.53) POLBLMNAALOX12HPGDALDH1A1
SCHEMBL10045060 0.71 CHRM2 (0.51) EPHX2HPGD
SCHEMBL11234863 0.70 ALOX12 (0.65) POLBLMNAEPHX2ALOX12HPGD
SCHEMBL20127881 0.70 EPHX2 (0.56) HTTEPHX2HPGDALDH1A1

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-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed