SCHEMBL147085

SCHEMBL147085

c1ccc(Cc2cccc3ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
CYP2D6 P10635 1/20 0.50
CYP3A4 P08684 1/20 0.50
GPR55 Q9Y2T6 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
CALM1 P0DP23 1/20 0.48

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
SCHEMBL31738884 1.00 CYP2C19 (0.54) CYP2C19CYP1A2CYP2C9TDP1CYP2D6
Hydrogen Sulfide SCHEMBL28838423 0.98 CYP2C19 (0.52) CYP2C19CYP1A2CYP2C9TDP1CYP2D6
SCHEMBL7918865 0.98 CYP2C19 (0.52) CYP2C19CYP1A2CYP2C9TDP1CYP2D6
SCHEMBL7918863 0.98 CYP2C19 (0.52) CYP2C19CYP1A2CYP2C9TDP1CYP2D6
Methane SCHEMBL27919160 0.96 CYP2C19 (0.50) CYP2C19CYP1A2CYP2C9TDP1CYP2D6
Formaldehyde SCHEMBL27716206 0.94 TDP1 (0.53) CYP2C19CYP1A2CYP2C9TDP1CYP2D6
Dimethylamine SCHEMBL11571354 0.94 CYP2C19 (0.50) CYP2C19CYP1A2CYP2C9TDP1CYP2D6
SCHEMBL7624046 0.92 SIGMAR1 (0.48) CYP2C19CYP1A2CYP2C9TDP1CYP2D6
SCHEMBL8938044 0.88 TDP1 (0.47) CYP2C19CYP1A2CYP2C9TDP1CYP2D6
SCHEMBL10867996 0.88 HPRT1 (0.54) CYP2C19CYP1A2CYP2C9TDP1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118930565-A Synthesis method of B (4) -aryl-B (9) -amide-o-carborane derivative 兰州大学 2024-11-12 CN claimed
CN-118458771-A Process for preparing asphalt-based spherical active carbon by pulse micropore injection method 天津仁爱学院 2024-08-09 CN claimed
EP-2859069-B1 METHOD AND APPARATUS FOR TREATING PETROLEUM EQUIPMENT FERRARA MARCELLO (IT) 2020-10-14 EP claimed
CN-110317181-A A kind of preparation method and applications of melamine cyanurate nanometer sheet microballoon 山东泰星新材料股份有限公司 2019-10-11 CN claimed
CN-109338735-A A kind of heat-insulated grid cloth of graphene fiber and preparation method thereof 牛墨石墨烯应用科技有限公司 2019-02-15 CN claimed
CN-108653252-A Application of benzyl naphthyl (sulfoxide) sulfone compound in preparation of radioprotective medicament 中国人民解放军军事科学院军事医学研究院 2018-10-16 CN claimed
CN-107090193-A A kind of dye composite, dye preparations and its preparation method and application 杭州维昂化工有限公司 2017-08-25 CN claimed
US-9328300-B2 Method, apparatus and chemical products for treating petroleum equipment FERRARA MARCELLO (IT) 2016-05-03 US claimed
EP-2859069-A1 METHOD AND APPARATUS FOR TREATING PETROLEUM EQUIPMENT Ferrara, Marcello (IT) 2015-04-15 EP claimed
CN-104387791-A Environment-friendly synthesis method of oxytitanium phthalocyanine UNIV TIANJIN 2015-03-04 CN claimed
EP-0317217-B1 METHOD AND APPARATUS FOR ACTIVATING INFUSIBILIZED PITCH BEADS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-03-03 EP claimed
EP-0492556-A1 Continuous process for the preparation of isocyanates ENICHEM SYNTHESIS S.p.A. (IT) 1992-07-01 EP claimed
US-5013328-A Aftertreatment of dyed substrates SANDOZ LTD. (CH) 1991-05-07 US claimed
EP-0317217-A2 Method and apparatus for activating infusibilized pitch beads KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-05-24 EP claimed
EP-0086636-B1 PRESSURE SENSITIVE RECORD SYSTEMS APPLETON PAPERS INC. (US) 1985-09-11 EP claimed
EP-0066378-B1 PHARMACEUTICAL SPIRO-HYDANTOIN DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-01-02 EP claimed
EP-0086636-A1 Pressure sensitive record systems APPLETON PAPERS INC. (US) 1983-08-24 EP claimed
US-4386100-A COMPLICATIONS OF DIABETES OR GALACTOSEMIA IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-05-31 US claimed
EP-0066378-A1 Pharmaceutical spiro-hydantoin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-08 EP claimed
US-3979324-A BENZYLNAPHTHALENE COMPOUND MONSANTO COMPANY (US) 1976-09-07 US claimed