SCHEMBL16692010

SCHEMBL16692010

Fc1cccc(OCc2ccc(Br)cc2)c1F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAOB P27338 7/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAOA P21397 3/20 0.47
HTR1A P08908 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KDM1A O60341 4/20 0.42
APP P05067 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL9706382 0.84 MAPT (0.58) NPC1MAOBMAOAHTR1ASLC6A2
SCHEMBL30080427 0.84 MAPT (0.58) NPC1MAOBMAOAHTR1ASLC6A2
SCHEMBL10091216 0.83 MAPT (0.49) NPC1RAB9AHTTSMN1; SMN2MAOB
SCHEMBL1155280 0.80 NPC1 (0.51) NPC1RAB9AHTTSMN1; SMN2MAOB
SCHEMBL28187930 0.79 MAOA (0.52) NPC1RAB9ASMN1; SMN2MAOBMEN1
SCHEMBL17433357 0.79 TDP1 (0.45) NPC1RAB9AHTTSMN1; SMN2MAOB
SCHEMBL2553585 0.79 LIPE (0.45) NPC1RAB9AMEN1KMT2AHTR1A
SCHEMBL10302205 0.77 FFAR1 (0.41) HTTSMN1; SMN2MAOBMEN1KMT2A
SCHEMBL16692013 0.77 CCR5 (0.46) NPC1RAB9AHTTSMN1; SMN2MAOB
SCHEMBL5275479 0.76 SMN1; SMN2 (0.49) NPC1RAB9AHTTSMN1; SMN2MAOB

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
US-9163178-B2 Liquid crystal compound with negative dielectric anisotropy, liquid crystal display, and optoelectronic device INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2015-10-20 US disclosed
US-9163178-B2 Liquid crystal compound with negative dielectric anisotropy, liquid crystal display, and optoelectronic device INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2015-10-20 US disclosed
US-20150124210-A1 LIQUID CRYSTAL COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL DISPLAY, AND OPTOELECTRONIC DEVICE INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2015-05-07 US disclosed
US-20150124210-A1 LIQUID CRYSTAL COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL DISPLAY, AND OPTOELECTRONIC DEVICE INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2015-05-07 US disclosed