SCHEMBL7528631

SCHEMBL7528631

CCCCCCCCCCc1nnc(-c2ccc(O)cc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.53
ESR1 P03372 2/20 0.53
ADRA2A P08913 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
TACR2 P21452 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
SHBG P04278 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
HSPD1 P10809 1/20 0.53
ADRB3 P13945 1/20 0.53
HTR2C P28335 1/20 0.53
HSPE1 P61604 1/20 0.53
HIF1A Q16665 1/20 0.53
TST Q16762 1/20 0.53

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
SCHEMBL8742458 1.00 PTGS2 (0.53) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL8742498 1.00 PTGS2 (0.53) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL6658410 0.98 RAB9A (0.54) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL10058949 0.92 RAB9A (0.59) KDM4EALDH1A1LMNAHSD17B10RAB9A
SCHEMBL10058950 0.92 RAB9A (0.59) KDM4EALDH1A1LMNAHSD17B10RAB9A
SCHEMBL10058952 0.92 RAB9A (0.59) KDM4EALDH1A1LMNAHSD17B10RAB9A
SCHEMBL10058970 0.92 RAB9A (0.59) KDM4EALDH1A1LMNAHSD17B10RAB9A
SCHEMBL10058957 0.92 RAB9A (0.59) KDM4EALDH1A1LMNAHSD17B10RAB9A
SCHEMBL10058947 0.91 RAB9A (0.61) KDM4EALDH1A1LMNAHSD17B10RAB9A
SCHEMBL15164266 0.88 KDM4E (0.68) PTGS2ESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335348-B2 Mesomorphic compound, ferroelectric liquid crystal composition containing same and ferroelectric liquid crystal device CANON KK (JP) 2002-02-27 EP disclosed
US-5972241-A ELECTROOPTICAL APPLICATIONS, IN PARTICULAR THOSE WHICH REQUIRE COMPACT, ENERGY-EFFICIENT, VOLTAGE-CONTROLLED LIGHT VALVES, E.G., WATCHES AND COMPUTERS 3M INNOVATIVE PROPERTIES COMPANY (US) 1999-10-26 US disclosed
US-5928562-A HAVING EXTENDED HYDROCARBON ETHER GROUP ADJACENT TO A TERMINAL FLUOROALKYL OR FLUOROETHER GROUP; LOW VISCOSITY; HIGH SPEED RESPONSE; BRIGHTNESS; COMMPATIBILITY; DISPLAYS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-07-27 US disclosed
EP-0555843-B1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1997-05-14 EP disclosed
EP-0435106-B1 Liquid crystal compound, liquid crystal composite including the compound and liquid crystal device utilizing the composite CANON KK (JP) 1996-07-24 EP disclosed
EP-0335348-B1 Mesomorphic compound, ferroelectric liquid crystal composition containing same and ferroelectric liquid crystal device CANON KK (JP) 1996-03-20 EP disclosed
US-5354501-A Improved response and helical pitch CANON KABUSHIKI KAISHA (JP) 1994-10-11 US disclosed
EP-0555843-A1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1993-08-18 EP disclosed
EP-0364923-B1 MESOMORPHIC COMPOUND, LIQUID CRYSTAL COMPOSITION CONTAINING SAME AND LIQUID CRYSTAL DEVICE USING SAME CANON KABUSHIKI KAISHA (JP) 1993-07-28 EP disclosed
US-5116530-A Ferroelectrical optical apparatus containing thiophene groups CANON KABUSHIKI KAISHA (JP) 1992-05-26 US disclosed
US-5098600-A Composites of heteroaryl liquid crystal compounds CANON KABUSHIKI KAISHA (JP) 1992-03-24 US disclosed
US-5034151-A Laminate with 1,3,4-oxadiazole compoumd as liquid crystal CANON KABUSHIKI KAISHA (JP) 1991-07-23 US disclosed
EP-0435106-A2 Liquid crystal compound, liquid crystal composite including the compound and liquid crystal device utilizing the composite CANON KABUSHIKI KAISHA (JP) 1991-07-03 EP disclosed
EP-0335348-A2 Mesomorphic compound, ferroelectric liquid crystal composition containing same and ferroelectric liquid crystal device CANON KABUSHIKI KAISHA (JP) 1989-10-04 EP disclosed