SCHEMBL5679272

SCHEMBL5679272

Cc1ccc(S(=O)(=O)O)c(Cc2ccccc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TYMP P19971 1/20 0.38
MYC P01106 1/20 0.38
CNR2 P34972 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL30716894 0.88 AMY1A (0.44) KMT2AMEN1MYCTSHRCYP2C19
SCHEMBL14991279 0.88 AMY1A (0.44) KMT2AMEN1MYCTSHRCYP2C19
SCHEMBL909723 0.86 MEN1 (0.46) KMT2AMEN1MYCCYP3A4CYP2D6
SCHEMBL29664944 0.85 MEN1 (0.40) KMT2AMEN1CNR2CYP2D6ALDH1A1
SCHEMBL5676910 0.85 LMNA (0.40) KMT2AMEN1MYCCNR2RAB9A
SCHEMBL21066919 0.83 PTGER1 (0.44) KMT2AMEN1MYCTSHRRAPGEF4
SCHEMBL1180196 0.81 GAA (0.41) KMT2AMEN1MYCTSHRRAPGEF4
SCHEMBL30823619 0.81 GAA (0.41) KMT2AMEN1MYCTSHRRAPGEF4
SCHEMBL196533 0.80 ACHE (0.46) KMT2AMEN1CYP3A4TSHRNPC1
SCHEMBL1228376 0.80 ACHE (0.46) KMT2AMEN1CYP3A4TSHRNPC1

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
EP-1229016-B1 Catalyst and process for the preparation of isocyanate groups containing polyisocyanates with low viscosity and reduced colour DEGUSSA (DE) 2006-01-11 EP disclosed
EP-1229016-A2 Catalyst and process for the preparation of isocyanate groups containing polyisocyanates with low viscosity and reduced colour Degussa AG (DE) 2002-08-07 EP disclosed