SCHEMBL7613478

SCHEMBL7613478

O=C(Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.69
TDP1 Q9NUW8 5/20 0.69
MEN1 O00255 5/20 0.69
TIMP3 P35625 4/20 0.69
RECQL P46063 4/20 0.69
HSD17B10 Q99714 4/20 0.69
ALDH1A1 P00352 4/20 0.69
USP2 O75604 2/20 0.69
HPSE Q9Y251 4/20 0.60
MAPT P10636 4/20 0.60
PKM P14618 3/20 0.60
P2RX1 P51575 3/20 0.60
P2RX3 P56373 3/20 0.60
ENPP3 O14638 1/20 0.60
ENTPD3 O75355 1/20 0.60
NR1I2 O75469 1/20 0.60
PRKD3 O94806 1/20 0.60
TDP2 O95551 1/20 0.60
CBX7 O95931 1/20 0.60
NSD2 O96028 1/20 0.60

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
SCHEMBL30388456 1.00 KMT2A (0.69) KMT2ATDP1MEN1TIMP3RECQL
SCHEMBL30388503 0.95 KMT2A (0.75) KMT2ATDP1MEN1TIMP3RECQL
SCHEMBL18136600 0.93 TIMP3 (0.73) KMT2ATDP1MEN1TIMP3RECQL
SCHEMBL6362876 0.93 KMT2A (0.73) KMT2ATDP1MEN1TIMP3RECQL
SCHEMBL10413406 0.92 MEN1 (0.58) KMT2ATDP1MEN1TIMP3RECQL
SCHEMBL17903244 0.91 HPSE (0.59) KMT2ATDP1MEN1TIMP3RECQL
SCHEMBL11593396 0.90 TIMP3 (0.63) KMT2ATDP1MEN1TIMP3RECQL
SCHEMBL11762076 0.89 KMT2A (0.60) KMT2ATDP1MEN1TIMP3RECQL
SCHEMBL17903278 0.88 P2RY11 (0.60) KMT2ATDP1MEN1TIMP3RECQL
SCHEMBL17903262 0.88 KMT2A (0.55) KMT2ATDP1MEN1TIMP3RECQL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6348464-B1 Pyrrolecarbonylimino derivatives as naaladase inhibitors GUILFORD PHARMACEUTICALS, INC. 2002-02-19 US disclosed
WO-2001034596-A2 PYRROLECARBONYLIMINO DERIVATIVES AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2001-05-17 WO disclosed
EP-0008154-A1 Ureylene phenylene anionic naphthalene-sulfonic acids, their use as complement system inhibitors in a body fluid and process for their preparation AMERICAN CYANAMID COMPANY (US) 1980-02-20 EP disclosed