SCHEMBL9494909

SCHEMBL9494909

Nc1ccc(Oc2ccccc2)c(N)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ADORA2A P29274 1/20 0.50
MAOA P21397 1/20 0.46
LTA4H P09960 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.44
TTR P02766 2/20 0.44
MEN1 O00255 1/20 0.44
ALB P02768 1/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOB P27338 1/20 0.42
HRH1 P35367 1/20 0.41
CTNNB1 P35222 1/20 0.41
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL21796059 0.89 ADORA2A (0.55) CYP1A2CYP3A4CYP2C9CYP2C19ADORA2A
SCHEMBL6048021 0.83 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19ADORA2A
SCHEMBL25417816 0.83 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19ADORA2A
SCHEMBL8667036 0.83 ALDH1A1 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19MAOA
SCHEMBL113777 0.83 GAA (0.52) CYP1A2CYP3A4CYP2C9CYP2C19ADORA2A
SCHEMBL31305020 0.83 GAA (0.52) CYP1A2CYP3A4CYP2C9CYP2C19ADORA2A
SCHEMBL941303 0.82 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19ADORA2A
SCHEMBL8852898 0.82 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19ADORA2A
SCHEMBL6653392 0.82 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19ADORA2A
SCHEMBL3292531 0.81 NR4A1 (0.36) CYP1A2CYP3A4CYP2C9CYP2C19TSHR

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
US-11803001-B1 Optical filter having polyimide aerogel substrate and infrared radiation scattering particles UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NASA (US) 2023-10-31 US claimed
JP-62247807-A None JP disclosed
US-11803001-B1 Optical filter having polyimide aerogel substrate and infrared radiation scattering particles UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NASA (US) 2023-10-31 US disclosed
CN-115243165-A A ball top, vibrating diaphragm subassembly, sound generating mechanism and electronic equipment for sound generating mechanism 歌尔股份有限公司 2022-10-25 CN disclosed
EP-3920699-A1 NEW MICROCAPSULES FOR AGRICULTURAL APPLICATIONS BASF SE (DE) 2021-12-15 EP disclosed
US-10907025-B1 Polyamide/polyimide aerogels UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2021-02-02 US disclosed
WO-2020161006-A1 NEW MICROCAPSULES FOR AGRICULTURAL APPLICATIONS BASF SE (DE) 2020-08-13 WO disclosed
US-10066073-B1 Polyamide/polyimide aerogels THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2018-09-04 US disclosed
US-9309369-B1 Polyimide aerogels with three-dimensional cross-linked structure THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2016-04-12 US disclosed
EP-0533202-A1 Use of capped surfactants for production of rigid polyurethane foams blown with hydrochlorofluorocarbons UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-03-24 EP disclosed
EP-0195363-B1 HAIR-DYEING COMPOSITION Henkel Kommanditgesellschaft auf Aktien (DE) 1990-10-31 EP disclosed
EP-0365877-A2 Polyamideimide insulated wire SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1990-05-02 EP disclosed
JP-S62247807-A PRODUCTION OF SEMIPERMEABLE COMPOSITE MEMBRANE TORAY IND INC 1987-10-28 JP disclosed
US-4250005-A Radiation cross-linked polyurethane foams SCOTT PAPER COMPANY (US) 1981-02-10 US disclosed