SCHEMBL7653352

SCHEMBL7653352

CC(=O)Nc1ccc(S(=O)(=O)Oc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(NC(=O)c4ccccc4)c23)c2cc(S(=O)(=O)Oc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(NC(=O)c5ccccc5)c34)cc(O)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.58
ENPP2 Q13822 2/20 0.43
KMT2A Q03164 5/20 0.41
TIMP3 P35625 4/20 0.41
MEN1 O00255 4/20 0.41
RECQL P46063 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
USP2 O75604 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPSE Q9Y251 4/20 0.39
CYP1A2 P05177 2/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 2/20 0.39
P2RX1 P51575 2/20 0.39
P2RX3 P56373 2/20 0.39
P2RY11 Q96G91 2/20 0.39
ENPP3 O14638 1/20 0.39
ENTPD3 O75355 1/20 0.39
NR1I2 O75469 1/20 0.39

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
SCHEMBL7653343 0.87 APEX1 (0.71) APEX1ENPP2KMT2ATIMP3MEN1
SCHEMBL4649703 0.78 APEX1 (0.66) APEX1ENPP2KMT2ATIMP3MEN1
SCHEMBL30818027 0.78 APEX1 (0.66) APEX1ENPP2KMT2ATIMP3MEN1
SCHEMBL9803468 0.77 KMT2A (0.53) APEX1ENPP2KMT2ATIMP3MEN1
SCHEMBL11600635 0.76 APEX1 (0.61) APEX1ENPP2KMT2AMEN1RECQL
SCHEMBL9411865 0.76 APEX1 (1.00) APEX1ENPP2KMT2AMEN1HSD17B10
SCHEMBL1413131 0.76 APEX1 (1.00) APEX1ENPP2KMT2AMEN1HSD17B10
SCHEMBL9723952 0.74 APEX1 (0.66) APEX1ENPP2KMT2ATIMP3MEN1
SCHEMBL942276 0.74 CASP6 (0.51) APEX1KMT2ATIMP3MEN1RECQL
SCHEMBL11512263 0.74 TIMP3 (0.68) APEX1ENPP2KMT2ATIMP3MEN1

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
US-6485527-B1 Use of reactive dyes for dyeing hair BASF AKTIENGESELLSCHAFT (DE) 2002-11-26 US disclosed
US-6197941-B1 TRIAZINE, METALLIZED, AZO, ANTHRAQUINONE, FORMAZAN, PHTHALOCYANINE, AND DIOXAZINE DYES BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed