SCHEMBL7898652

SCHEMBL7898652

O=C=Nc1ccc(OCCCCBr)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
FURIN P09958 1/20 0.41
GAA P10253 1/20 0.41
PRSS1 P07477 3/20 0.38
KCNA3 P22001 1/20 0.38
PRMT1 Q99873 3/20 0.37
F2 P00734 2/20 0.37
ST14 Q9Y5Y6 2/20 0.37
PLAU P00749 1/20 0.37
PRMT5 O14744 1/20 0.37
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
TMPRSS2 O15393 1/20 0.37
PTP4A3 O75365 1/20 0.37
SLC22A3 O75751 1/20 0.37
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
S100B P04271 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
SCHEMBL10341873 0.93 CYP3A4 (0.52) TSHRCYP3A4L3MBTL1FURINGAA
SCHEMBL10703892 0.91 TSHR (0.50) TSHRCYP3A4L3MBTL1FURINGAA
SCHEMBL7602206 0.91 TSHR (0.50) TSHRCYP3A4L3MBTL1FURINGAA
SCHEMBL1493053 0.89 CYP3A4 (0.52) TSHRCYP3A4L3MBTL1FURINGAA
SCHEMBL10341829 0.87 CYP3A4 (0.54) TSHRCYP3A4L3MBTL1FURINPRSS1
SCHEMBL414168 0.84 CYP1A2 (0.50) TSHRCYP3A4GAAPRSS1TP53
SCHEMBL3707532 0.83 NR5A1 (0.54) TSHRGAATP53
SCHEMBL1020538 0.83 NR5A1 (0.54) TSHRGAATP53
SCHEMBL7777016 0.83 NR5A1 (0.54) TSHRGAATP53
SCHEMBL11848774 0.83 NR5A1 (0.54) TSHRGAATP53

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
WO-1999064041-A9 MULTIBINDING AGENTS THAT MODULATE NMDA RECEPTORS ADVANCED MEDICINE INC (US) 2001-05-31 WO disclosed
EP-1100519-A1 MULTIBINDING AGENTS THAT MODULATE NMDA RECEPTORS Advanced Medicine, Inc. (US) 2001-05-23 EP disclosed
WO-1999064041-A1 MULTIBINDING AGENTS THAT MODULATE NMDA RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed