SCHEMBL9319495

SCHEMBL9319495

O=C(Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c12)c1cccc(S(=O)(=O)CCCl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
TIMP3 P35625 5/20 0.56
RECQL P46063 5/20 0.56
HSD17B10 Q99714 5/20 0.56
TDP1 Q9NUW8 5/20 0.56
MEN1 O00255 4/20 0.56
ALDH1A1 P00352 4/20 0.56
USP2 O75604 2/20 0.56
HPSE Q9Y251 5/20 0.50
MAPT P10636 4/20 0.50
PKM P14618 4/20 0.50
P2RX1 P51575 4/20 0.50
P2RX3 P56373 4/20 0.50
P2RY11 Q96G91 4/20 0.50
SIRT2 Q8IXJ6 3/20 0.50
SIRT1 Q96EB6 3/20 0.50
BRCA1 P38398 2/20 0.50
ENPP3 O14638 1/20 0.50
ENTPD3 O75355 1/20 0.50
NR1I2 O75469 1/20 0.50

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
SCHEMBL6561275 0.86 TIMP3 (0.56) KMT2ATIMP3RECQLHSD17B10TDP1
SCHEMBL11509490 0.85 TIMP3 (0.64) KMT2ATIMP3RECQLHSD17B10TDP1
SCHEMBL8752069 0.84 APEX1 (0.67) KMT2ATIMP3RECQLHSD17B10TDP1
SCHEMBL6559700 0.83 KMT2A (0.59) KMT2ATIMP3RECQLHSD17B10TDP1
SCHEMBL30818027 0.82 APEX1 (0.66) KMT2ATIMP3RECQLHSD17B10TDP1
SCHEMBL4649703 0.82 APEX1 (0.66) KMT2ATIMP3RECQLHSD17B10TDP1
SCHEMBL6560525 0.82 HSD17B10 (0.62) KMT2ATIMP3RECQLHSD17B10TDP1
SCHEMBL11052317 0.81 TIMP3 (0.53) KMT2ATIMP3RECQLHSD17B10TDP1
SCHEMBL10382974 0.80 APEX1 (0.54) KMT2ATIMP3RECQLHSD17B10TDP1
SCHEMBL13880669 0.79 TIMP3 (0.43) KMT2ATIMP3RECQLHSD17B10TDP1

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-0362557-B1 Water soluble azo compounds, process for their preparation and their use as dyestuffs HOECHST AG (DE) 1994-01-19 EP disclosed
US-4975539-A NEW AZO DYES; WASHFASTNESS; ACID RESISTANCE HOECHST AKTIENGESELLSCHAFT (DE) 1990-12-04 US disclosed