SCHEMBL8035575

SCHEMBL8035575

CCCCCCCCCCCOc1cnc(-c2ccc(Br)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.56
NPC1 O15118 6/20 0.56
KDM4E B2RXH2 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
HSD17B10 Q99714 2/20 0.56
MAPT P10636 3/20 0.50
RARB P10826 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 1/20 0.45
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
NR5A1 Q13285 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL7794822 1.00 RAB9A (0.56) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL7856810 1.00 RAB9A (0.56) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL5866494 0.89 NPC1 (0.71) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL13987904 0.89 NPC1 (0.71) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL6017545 0.89 NPC1 (0.71) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL9318472 0.89 NPC1 (0.71) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL5866522 0.89 NPC1 (0.71) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL9239737 0.89 NPC1 (0.71) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL9235626 0.89 NPC1 (0.71) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL6017464 0.89 NPC1 (0.71) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10

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
EP-0643119-B1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-6030546-A FERROELECTRIC PHASE; LOW VISCOSITY;, THERMOSENSITIVITY OVER A BROAD AND EXHIBITS A LARGE TILT ANGLE AND A HIGH-SPEED RESPONSE PROPERTY;CHEMICAL INTERMEDIATES FOR PESTICIDES, DRUGS AND LIQUID CRYSTALS; BORIDING AND HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-29 US disclosed
US-5707547-A CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0643119-A1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed