SCHEMBL9850805

SCHEMBL9850805

CCCCCCCOc1ccc(-c2ccc(Br)cn2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
RAB9A P51151 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
NPC1 O15118 3/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
S1PR1 P21453 2/20 0.44
S1PR3 Q99500 2/20 0.44
S1PR4 O95977 1/20 0.44
S1PR5 Q9H228 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
PTPN11 Q06124 4/20 0.41
S1PR2 O95136 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
SCHEMBL9850823 1.00 SMN1; SMN2 (0.48) SMN1; SMN2RAB9AL3MBTL1NPC1NFKB1
SCHEMBL9850625 1.00 SMN1; SMN2 (0.48) SMN1; SMN2RAB9AL3MBTL1NPC1NFKB1
SCHEMBL8452862 0.85 PTPN11 (0.52) SMN1; SMN2L3MBTL1S1PR1S1PR3S1PR4
SCHEMBL7788809 0.85 PTPN11 (0.52) SMN1; SMN2L3MBTL1S1PR1S1PR3S1PR4
SCHEMBL6534928 0.85 NPC1 (0.49) SMN1; SMN2RAB9AL3MBTL1NPC1S1PR1
SCHEMBL9806818 0.85 RAB9A (0.47) SMN1; SMN2RAB9AL3MBTL1NPC1NFKB1
SCHEMBL9806767 0.84 RAB9A (0.57) SMN1; SMN2RAB9AL3MBTL1NPC1NFKB1
SCHEMBL9806797 0.84 RAB9A (0.56) SMN1; SMN2RAB9AL3MBTL1NPC1NFKB1
SCHEMBL9192073 0.84 RAB9A (0.57) SMN1; SMN2RAB9AL3MBTL1NPC1NFKB1
SCHEMBL9806816 0.84 RAB9A (0.57) SMN1; SMN2RAB9AL3MBTL1NPC1NFKB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409634-A2 Liquid crystal compounds and optically active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1991-01-23 EP disclosed