SCHEMBL6687986

SCHEMBL6687986

OP(=S)(S)NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
IDO1 P14902 3/20 0.46
THRB P10828 1/20 0.46
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
POLB P06746 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
ACP3 P15309 1/20 0.41
CYP3A4 P08684 2/20 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
SCHEMBL6686553 0.83 MEN1 (0.46) ALOX12ALDH1A1HPGDIDO1THRB
SCHEMBL6686042 0.83 ALOX12 (0.50) ALOX12ALDH1A1HPGDIDO1THRB
SCHEMBL6686040 0.79 KMT2A (0.52) ALOX12ALDH1A1HPGDIDO1THRB
SCHEMBL3061695 0.75 CA12 (0.44) ALOX12ALDH1A1HPGDIDO1THRB
SCHEMBL6687981 0.74 MEN1 (0.55) HPGDIDO1THRBMAPTMEN1
SCHEMBL1377592 0.74 KMT2A (0.55) ALOX12ALDH1A1HPGDIDO1THRB
SCHEMBL6683450 0.74 IDO1 (0.50) ALOX12ALDH1A1HPGDIDO1THRB
SCHEMBL6681829 0.73 HPGD (0.46) ALOX12ALDH1A1HPGDIDO1THRB
SCHEMBL10717268 0.71 KMT2A (0.52) IDO1THRBMAPTMEN1KMT2A
SCHEMBL16181027 0.71 KMT2A (0.49) ALOX12ALDH1A1HPGDMAPTMEN1

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