SCHEMBL6595150

SCHEMBL6595150

O=C(O)c1cc(OCc2ccccc2)c2cc(C#Cc3ccccc3)cc([N+](=O)[O-])c2n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.42
CTSL P07711 3/20 0.42
POLB P06746 2/20 0.41
MCL1 Q07820 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PIN1 Q13526 2/20 0.39
APP P05067 1/20 0.38
CYP19A1 P11511 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL6595140 1.00 CTSV (0.42) CTSVCTSLPOLBMCL1SENP8
SCHEMBL6593975 0.93 CYP11B1 (0.46) CTSVCTSLPOLBPIN1CYP19A1
SCHEMBL6080661 0.91 APP (0.43) CTSVCTSLPOLBAPPCYP19A1
SCHEMBL6593611 0.90 XDH (0.43) CTSVCTSLPOLBMCL1SENP8
SCHEMBL6593616 0.90 XDH (0.43) CTSVCTSLPOLBMCL1SENP8
SCHEMBL6614590 0.90 CTSV (0.39) CTSVCTSLPOLBMCL1SENP8
SCHEMBL6594775 0.85 CTSV (0.44) CTSVCTSLPOLBMCL1SENP8
SCHEMBL6594175 0.85 CTSV (0.44) CTSVCTSLPOLBMCL1SENP8
SCHEMBL6594769 0.85 CTSV (0.44) CTSVCTSLPOLBMCL1SENP8
SCHEMBL6594169 0.85 CTSV (0.44) CTSVCTSLPOLBMCL1SENP8

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-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