SCHEMBL6597779

SCHEMBL6597779

O=C(O)c1cc(OCc2ccccc2)c2c(C#CCOCc3ccccc3)ccc([N+](=O)[O-])c2n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.41
CTSL P07711 4/20 0.41
APP P05067 1/20 0.39
XDH P47989 1/20 0.38
POLB P06746 2/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MYC P01106 1/20 0.36
MAX P61244 1/20 0.36
PIN1 Q13526 2/20 0.36
CYP19A1 P11511 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35

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
SCHEMBL6080282 0.91 CTSV (0.39) CTSVCTSLAPPL3MBTL1MYC
SCHEMBL6590202 0.88 CTSV (0.43) CTSVCTSLAPPXDHPOLB
SCHEMBL6590188 0.88 CTSV (0.43) CTSVCTSLAPPXDHPOLB
SCHEMBL6614590 0.82 CTSV (0.39) CTSVCTSLAPPPOLBSENP8
SCHEMBL6596248 0.81 MMP2 (0.37) CTSVCTSLAPPPOLBSENP8
SCHEMBL6596253 0.81 MMP2 (0.37) CTSVCTSLAPPPOLBSENP8
SCHEMBL6590323 0.81 CTSV (0.44) CTSVCTSLAPPPOLBSENP8
SCHEMBL6590313 0.81 CTSV (0.44) CTSVCTSLAPPPOLBSENP8
SCHEMBL6594141 0.80 CYP19A1 (0.47) CTSVCTSLAPPPOLBSENP8
SCHEMBL6594148 0.80 CYP19A1 (0.47) CTSVCTSLAPPPOLBSENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed