SCHEMBL16692013

SCHEMBL16692013

CCOc1ccc(OCc2ccc(Br)cc2)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 2/20 0.44
SMPD1 P17405 1/20 0.43
MAOB P27338 4/20 0.43
APP P05067 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
IDO1 P14902 2/20 0.42
TACR2 P21452 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL16772322 0.82 TACR2 (0.42) SMN1; SMN2MAPTMEN1KMT2ATACR2
SCHEMBL18307207 0.81 TACR2 (0.41) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL1243355 0.79 HTR1A (0.42) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL18307184 0.78 TACR2 (0.40) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL17527769 0.78 L3MBTL1 (0.48) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL16692010 0.77 NPC1 (0.51) NPC1RAB9ASMN1; SMN2HTTMAOB
SCHEMBL1242253 0.77 FGFR2 (0.40) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL19189443 0.77 APP (0.47) NPC1RAB9AMAPTMAOBAPP
SCHEMBL17490422 0.76 MAOB (0.47) HTTMAPTMAOBMEN1KMT2A
SCHEMBL12740938 0.76 HTR1A (0.39) NPC1RAB9ASMN1; SMN2MAPTMEN1

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