SCHEMBL5527348

SCHEMBL5527348

O=c1c2ccccc2sc2cccc(C(F)(F)F)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
MEN1 O00255 4/20 0.43
POLB P06746 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 4/20 0.42
GPR3 P46089 1/20 0.42
SLC9A1 P19634 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
Hydrochloric Acid SCHEMBL28289368 0.98 MAPT (0.46) MAPTNPC1RAB9AHPGDCYP1A2
SCHEMBL6489524 0.88 GPR3 (0.50) MAPTNPC1RAB9AHPGDCYP1A2
Hydrogen Sulfide SCHEMBL29100291 0.86 GPR3 (0.48) MAPTNPC1RAB9AHPGDCYP1A2
SCHEMBL16243459 0.83 MAPT (0.50) MAPTNPC1RAB9AHPGDCYP1A2
SCHEMBL28076011 0.83 GPR3 (0.45) MAPTNPC1RAB9AHPGDCYP1A2
Trifluoromethanesulfonic Acid SCHEMBL29631864 0.80 SLC9A1 (0.44) MAPTHPGDMAOAMAOBMEN1
SCHEMBL20262961 0.77 MAPT (0.50) MAPTNPC1RAB9AHPGDCYP1A2
SCHEMBL9128466 0.77 MAPT (0.50) MAPTNPC1RAB9AHPGDCYP1A2
SCHEMBL28096180 0.75 MAPT (0.49) MAPTNPC1RAB9AHPGDCYP1A2
SCHEMBL357103 0.75 MAPT (0.43) MAPTNPC1RAB9AHPGDCYP1A2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109674754-B Flupentixol and melitracen pharmaceutical composition and preparation thereof 广东赛烽医药科技有限公司 2021-10-08 CN disclosed
CN-109674754-B Flupentixol and melitracen pharmaceutical composition and preparation thereof 广东赛烽医药科技有限公司 2021-10-08 CN disclosed
CN-109771386-B Flupentixol melitracen tablet and preparation method thereof 广东赛烽医药科技有限公司 2021-10-08 CN disclosed
CN-109771386-B Flupentixol melitracen tablet and preparation method thereof 广东赛烽医药科技有限公司 2021-10-08 CN disclosed
US-10838302-B2 Cross-linkable fluorinated photopolymer ORTHOGONAL, INC. (US) 2020-11-17 US disclosed
US-20200301276-A1 CROSS-LINKABLE FLUORINATED PHOTOPOLYMER ORTHOGONAL, INC. (US) 2020-09-24 US disclosed
US-10739680-B2 Cross-linkable fluorinated photopolymer ORTHOGONAL, INC. (US) 2020-08-11 US disclosed
WO-2020143394-A1 FLUPENTIXOL/MELITRACEN PHARMACEUTICAL COMPOSITION AND PREPARATION THEREOF 广东赛烽医药科技有限公司 2020-07-16 WO disclosed
WO-2020143395-A1 FLUPENTIXOL MELITRACEN TABLET AND PREPARATION METHOD THEREFOR 广东赛烽医药科技有限公司 2020-07-16 WO disclosed
WO-2020143395-A1 FLUPENTIXOL MELITRACEN TABLET AND PREPARATION METHOD THEREFOR 广东赛烽医药科技有限公司 2020-07-16 WO disclosed
CN-109771386-A A kind of Flupentixol and Melitracen Tablets agent and preparation method thereof 广东赛烽医药科技有限公司 2019-05-21 CN disclosed
US-10289000-B2 Cross-linkable fluorinated photopolymer ORTHOGONAL, INC. (US) 2019-05-14 US disclosed
CN-109674754-A A kind of flupentixol and melitracen pharmaceutical composition and its preparation 广东赛烽医药科技有限公司 2019-04-26 CN disclosed
CN-109674754-A A kind of flupentixol and melitracen pharmaceutical composition and its preparation 广东赛烽医药科技有限公司 2019-04-26 CN disclosed
US-20180275517-A1 CROSS-LINKABLE FLUORINATED PHOTOPOLYMER ORTHOGONAL INC (US) 2018-09-27 US disclosed
US-9958778-B2 Cross-linkable fluorinated photopolymer ORTHOGONAL, INC. (US) 2018-05-01 US disclosed
US-20160349614-A1 CROSS-LINKABLE FLUORINATED PHOTOPOLYMER ORTHOGONAL, INC. 2016-12-01 US disclosed
CN-103450151-B Preparing method of flupentixol compound SICHUAN HAISCO PHARMACEUTICAL CO LTD 2014-07-30 CN disclosed
CN-103450151-A Flupentixol compound SICHUAN HAISCO PHARMACEUTICAL CO LTD 2013-12-18 CN disclosed
WO-2007022077-A2 HOOF REPAIR MATERIAL JOHNSTON ALLEN D (US) 2007-02-22 WO disclosed