SCHEMBL7641702

SCHEMBL7641702

N#CCc1nc2ccc(Cl)cc2o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 3/20 0.59
PSMB5 P28074 1/20 0.59
PIK3CG P48736 1/20 0.56
SOS1 Q07889 1/20 0.51
MAPT P10636 4/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
S1PR3 Q99500 2/20 0.42
XDH P47989 2/20 0.40
NLRP3 Q96P20 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
SNCA P37840 1/20 0.40
FBP1 P09467 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 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
SCHEMBL8626880 0.87 PSMB8 (0.59) PSMB8PSMB5PIK3CGMAPTKDM4E
SCHEMBL30010034 0.81 MAPT (0.43) PSMB8PSMB5MAPTKDM4EMEN1
SCHEMBL11639549 0.80 MAPT (0.54) PSMB8PSMB5PIK3CGSOS1MAPT
SCHEMBL486127 0.80 PIK3CG (0.58) PSMB8PSMB5PIK3CGSOS1MAPT
SCHEMBL11934535 0.78 PIK3CG (0.56) PSMB8PSMB5PIK3CGSOS1MAPT
SCHEMBL17221435 0.78 PIK3CG (0.56) PSMB8PSMB5PIK3CGSOS1MAPT
SCHEMBL16006862 0.78 PIK3CG (0.56) PSMB8PSMB5PIK3CGSOS1MAPT
SCHEMBL17221714 0.78 PIK3CG (0.61) PSMB8PSMB5PIK3CGSOS1MAPT
SCHEMBL687550 0.76 MAPT (0.63) PSMB8MAPTKDM4EMEN1KMT2A
SCHEMBL7899514 0.75 LOXL2 (0.60) PSMB8PSMB5PIK3CGSOS1MAPT

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
US-6458966-B1 Dye intermediate and method NYCOMED AMERSHAM PLC (GB) 2002-10-01 US disclosed
EP-1002020-A1 DYE INTERMEDIATE AND METHOD TO MANUFACTURE DYES Nycomed Amersham plc (GB) 2000-05-24 EP disclosed
WO-1999007793-A1 DYE INTERMEDIATE AND METHOD TO MANUFACTURE DYES NYCOMED AMERSHAM PLC (GB) 1999-02-18 WO disclosed