SCHEMBL6687981

SCHEMBL6687981

O=P(S)(S)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HTT P42858 2/20 0.55
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
CA12 O43570 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA14 Q9ULX7 2/20 0.45
ADH1B P00325 1/20 0.45
ADH1C P00326 1/20 0.45
ADH1A P07327 1/20 0.45
ADH7 P40394 1/20 0.45
MAOA P21397 1/20 0.45
IDO1 P14902 2/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CHRM2 P08172 1/20 0.43
HPGD P15428 1/20 0.43
CYP3A4 P08684 2/20 0.43

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
SCHEMBL6686040 0.83 KMT2A (0.52) MEN1KMT2AHTTMAPTLMNA
SCHEMBL6686553 0.77 MEN1 (0.46) MEN1KMT2AHTTMAPTLMNA
SCHEMBL1377592 0.77 KMT2A (0.55) MEN1KMT2AHTTMAPTLMNA
SCHEMBL27880788 0.77 KMT2A (0.55) MEN1KMT2AHTTMAPTLMNA
SCHEMBL28365055 0.77 MEN1 (0.55) MEN1KMT2AHTTMAPTLMNA
SCHEMBL27522015 0.77 MEN1 (0.55) MEN1KMT2AHTTMAPTLMNA
SCHEMBL31232950 0.77 MEN1 (0.50) MEN1KMT2AHTTMAPTLMNA
SCHEMBL8723450 0.76 MEN1 (0.53) MEN1KMT2AHTTMAPTLMNA
SCHEMBL10717268 0.74 KMT2A (0.52) MEN1KMT2AHTTMAPTLMNA
SCHEMBL10308510 0.74 MEN1 (0.52) MEN1KMT2AHTTMAPTLMNA

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