SCHEMBL8768229

SCHEMBL8768229

CC(=O)N(c1ccccc1)c1cccc([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 2/20 0.38
GPR35 Q9HC97 2/20 0.38
HCAR3 P49019 1/20 0.38
MGLL Q99685 1/20 0.37
CTSD P07339 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ESR2 Q92731 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL10527436 0.87 ATM (0.43) TDP1L3MBTL1TSHRGPR35MGLL
SCHEMBL4609556 0.78 TSHR (0.54) TDP1L3MBTL1TSHRKDM4EGLA
SCHEMBL8697187 0.75 SMN1; SMN2 (0.46) L3MBTL1TSHRKDM4EGLAHCAR3
SCHEMBL1554602 0.75 TDP1 (0.75) TDP1L3MBTL1TSHRGPR35MEN1
SCHEMBL3393314 0.74 TSHR (0.53) TDP1L3MBTL1TSHRKDM4EGLA
SCHEMBL10620627 0.74 NPSR1 (0.53) TDP1L3MBTL1TSHRGPR35MGLL
SCHEMBL11551945 0.74 PDE7A (0.44) L3MBTL1TSHRMEN1KMT2ALMNA
SCHEMBL3392826 0.72 DTYMK (0.49) TSHRKDM4EGLAPOLBMGLL
SCHEMBL7968895 0.72 ALDH1A1 (0.43) L3MBTL1KDM4EPOLBMEN1KMT2A
SCHEMBL7909935 0.72 MEN1 (0.52) TSHRKDM4EPOLBMEN1KMT2A

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-0792366-A1 ENZYME GENE THERAPY CATALYSING PRODRUG EXTRACELLULAR CONVERSION THE WELLCOME FOUNDATION LIMITED (GB) 1997-09-03 EP disclosed
WO-1996016179-A1 ENZYME GENE THERAPY CATALYSING PRODRUG EXTRACELLULAR CONVERSION THE WELLCOME FOUNDATION LIMITED (GB) 1996-05-30 WO disclosed