SCHEMBL720120

SCHEMBL720120

NC(N)(O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.58
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
TAAR1 Q96RJ0 1/20 0.40
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
PTPN1 P18031 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL6360840 0.81 KCNN4 (0.58) KCNN4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL8187278 0.81 KCNN4 (0.58) KCNN4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL3818905 0.77 KCNN4 (0.52) KCNN4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4145653 0.77 KCNN4 (0.52) KCNN4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6930353 0.77 KCNN4 (0.52) KCNN4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL5561583 0.77 KCNN4 (0.52) KCNN4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL5184997 0.77 KCNN4 (0.52) KCNN4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1258172 0.77 KCNN4 (0.52) KCNN4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL27947103 0.76 KCNN4 (0.69) KCNN4CYP1A2ALDH1A1TSHRCYP2D6
SCHEMBL15366 0.76 KCNN4 (0.69) KCNN4CYP1A2ALDH1A1TSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1205179-C (P-aminohydroxyphenyl) acrylamide derivatives and coloring agents containing the same P & G CLAROLL CORP (US) 2005-06-08 CN claimed
WO-2004078118-A2 PROTEIN KINASE C INHIBITOR, RELATED COMPOSITION, AND METHOD OF USE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-09-16 WO claimed
CN-1437578-A (P-amino-hyaroxyphenyl)-acrylamide derivatives and dyes containing said compounds WELLA AG (DE) 2003-08-20 CN claimed
JP-3008195-B2 2000-02-14 JP claimed
US-5891870-A ANTIINFLAMMATORY AGENTS USING BENZODITERPENES AND BENZOLACTAMS PROCYON PHARMACEUTICALS, INC. (US) 1999-04-06 US claimed
US-5716968-A ANTIINFLAMMATORY AGENTS; VIRICIDE PROCYON PHARMACEUTICALS, INC. (US) 1998-02-10 US claimed
EP-0310622-A1 ANTI-INFLAMMATORY COMPOSITIONS. ALDER RES CENTER CORP (US) 1989-04-12 EP claimed
WO-1987007599-A2 ANTI-INFLAMMATORY COMPOSITIONS ALDER RESEARCH CENTER CORPORATION (US) 1987-12-17 WO claimed
WO-1983001771-A1 DERIVATIVES OF 2-HYDROXY-4-AMINO-BENZENE, PREPARATION THEREOF AND HAIR DYE CONTAINING SUCH DERIVATIVES KONRAD, EUGEN 1983-05-26 WO claimed
JP-62100530-A None JP disclosed
WO-2022107541-A1 LIQUID CRYSTAL ALIGNING AGENT, METHOD FOR PRODUCING POLYMER, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2022-05-27 WO disclosed
WO-2022102281-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2022-05-19 WO disclosed
CN-109153154-B Release agent for molding vulcanized rubber 第一工业制药株式会社 2021-07-23 CN disclosed
US-10717210-B2 Release agent for vulcanized rubber molding DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2020-07-21 US disclosed
EP-0455271-A2 Anti-inflammatory compositions PROCYON PHARMACEUTICALS, INC. (US) 1991-11-06 EP disclosed
EP-0400330-A1 Oxidation hair dyes Wella Aktiengesellschaft (DE) 1990-12-05 EP disclosed
EP-0310622-A1 ANTI-INFLAMMATORY COMPOSITIONS. ALDER RES CENTER CORP (US) 1989-04-12 EP disclosed
EP-0253365-A2 Rubber composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-01-20 EP disclosed
WO-1987007599-A2 ANTI-INFLAMMATORY COMPOSITIONS ALDER RESEARCH CENTER CORPORATION (US) 1987-12-17 WO disclosed
JP-S62100530-A SOLUBLE AROMATIC POLYIMIDE COMPOSITION UBE IND LTD 1987-05-11 JP disclosed