SCHEMBL9544540

SCHEMBL9544540

Clc1ccc(Nc2ccc(OBOc3ccc(Nc4ccc(Cl)cc4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.44
KCNH2 Q12809 6/20 0.44
SCN5A Q14524 5/20 0.44
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 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
SCHEMBL98774 0.86 LMNA (0.47) MAPTNPC1KDM4ERAB9ATDP1
SCHEMBL1954439 0.79 CYP1A2 (0.46) NPC1GAARAB9ANPSR1MEN1
SCHEMBL1686571 0.78 LMNA (0.57) SCN9AMAPTNPC1GAAMAPK1
SCHEMBL9516529 0.78 LMNA (0.57) SCN9AMAPTNPC1GAAMAPK1
SCHEMBL16601560 0.76 SCN9A (0.49) SCN9AKCNH2SCN5AMAPTNPC1
SCHEMBL9629628 0.76 MAPT (0.77) MAPTNPC1KDM4EGAATHRB
SCHEMBL13945696 0.71 PPARA (0.47) SCN9AKCNH2SCN5AMAPTNPC1
SCHEMBL11201059 0.71 KDM4E (0.62) MAPTKDM4EGAANPSR1TDP1
SCHEMBL9166120 0.70 IDO1 (0.42) MAPTNPC1KDM4EGAATHRB
SCHEMBL9479942 0.69 ALDH1A1 (0.72) MAPTKDM4ETHRBMAPK1RECQL

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
WO-1993016195-A1 CHEMILUMINESCENT ENHANCERS BRITISH TECHNOLOGY GROUP LTD. (GB) 1993-08-19 WO claimed
WO-1993016195-A1 CHEMILUMINESCENT ENHANCERS BRITISH TECHNOLOGY GROUP LTD. (GB) 1993-08-19 WO disclosed