SCHEMBL7076785

SCHEMBL7076785

N=P(N)(SCc1ccccc1)SCc1ccccc1.N=P(S)(S)N(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
IDO1 P14902 3/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALOX15 P16050 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
PRMT1 Q99873 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL3074412 0.82 IDO1 (0.45) POLBIDO1RAB9ASMN1; SMN2ALOX15
SCHEMBL7081836 0.78 ALDH1A1 (0.37) ALOX15CYP1A2CYP3A4CYP2D6HPGD
SCHEMBL3073136 0.70 IDO1 (0.41) POLBIDO1RAB9ASMN1; SMN2ALOX15
SCHEMBL3070007 0.70 CA12 (0.41) POLBIDO1SMN1; SMN2NOS3NOS1
SCHEMBL6830707 0.65 HPGD (0.43) POLBIDO1SMN1; SMN2NOS3NOS1
SCHEMBL3081281 0.65 CA12 (0.41) POLBIDO1NOS3NOS1NOS2
SCHEMBL3064447 0.65 POLB (0.47) POLBIDO1RAB9ASMN1; SMN2ALOX15
SCHEMBL3078061 0.65 CA12 (0.41) POLBIDO1NOS3NOS1NOS2
SCHEMBL7074455 0.65 HPGD (0.43) POLBIDO1SMN1; SMN2NOS3NOS1
SCHEMBL6660438 0.64 IDO1 (0.42) IDO1SMN1; SMN2NOS3NOS1NOS2

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