SCHEMBL6684937

SCHEMBL6684937

O=P(S)(Sc1ccccc1)Sc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
MGLL Q99685 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 1/20 0.36
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA5A P35218 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
FFAR1 O14842 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
NPC1 O15118 2/20 0.32

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
SCHEMBL6827880 0.84 KCNH2 (0.47) KCNH2HPGDSMN1; SMN2MAPTMGLL
SCHEMBL5351835 0.80 KCNH2 (0.44) KCNH2HPGDSMN1; SMN2MAPTMGLL
SCHEMBL3077639 0.80 KCNH2 (0.44) KCNH2HPGDSMN1; SMN2MAPTMGLL
SCHEMBL634506 0.78 KCNH2 (0.42) KCNH2HPGDSMN1; SMN2MAPTMGLL
SCHEMBL1883203 0.78 KCNH2 (0.61) KCNH2HPGDSMN1; SMN2MAPTMGLL
SCHEMBL11219090 0.74 KCNH2 (0.47) KCNH2HPGDSMN1; SMN2MAPTMGLL
SCHEMBL108542 0.74 KCNH2 (0.47) KCNH2HPGDSMN1; SMN2MAPTMGLL
SCHEMBL2502560 0.74 KCNH2 (0.47) KCNH2HPGDSMN1; SMN2MAPTMGLL
SCHEMBL3732748 0.74 KCNH2 (0.47) KCNH2HPGDSMN1; SMN2MAPTMGLL
SCHEMBL707305 0.74 KCNH2 (0.47) KCNH2HPGDSMN1; SMN2MAPTMGLL

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
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed