SCHEMBL6594175

SCHEMBL6594175

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.44
CTSL P07711 3/20 0.44
POLB P06746 2/20 0.43
MCL1 Q07820 2/20 0.43
PTGER1 P34995 3/20 0.41
PIN1 Q13526 2/20 0.41
CYP1A2 P05177 1/20 0.40
APP P05067 1/20 0.40
CYP19A1 P11511 1/20 0.40
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6594169 1.00 CTSV (0.44) CTSVCTSLPOLBMCL1PTGER1
SCHEMBL6079319 0.90 APP (0.45) CTSVCTSLPOLBAPPCYP19A1
SCHEMBL6594775 0.87 CTSV (0.44) CTSVCTSLPOLBMCL1PIN1
SCHEMBL6594769 0.87 CTSV (0.44) CTSVCTSLPOLBMCL1PIN1
SCHEMBL6592924 0.86 CTSV (0.47) CTSVCTSLPOLBPTGER1PIN1
SCHEMBL6592928 0.86 CTSV (0.47) CTSVCTSLPOLBPTGER1PIN1
SCHEMBL6588828 0.85 PTGER1 (0.49) MCL1PTGER1CYP1A2
SCHEMBL6593611 0.85 XDH (0.43) CTSVCTSLPOLBMCL1PIN1
SCHEMBL6593616 0.85 XDH (0.43) CTSVCTSLPOLBMCL1PIN1
SCHEMBL6594624 0.85 CTSV (0.52) CTSVCTSLPOLBPIN1APP

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