SCHEMBL6836032

SCHEMBL6836032

Nc1ccc(C(c2ccccc2)c2ccc(N)cc2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.42
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 4/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ESR2 Q92731 1/20 0.39
PTPN1 P18031 1/20 0.39
CASP1 P29466 2/20 0.38
TSHR P16473 2/20 0.38
KDR P35968 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
SLC6A2 P23975 1/20 0.38
PDE4A P27815 1/20 0.38
ADRA1A P35348 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL22051079 0.93 TYR (0.44) TYRALDH1A1CYP3A4MAPTGAA
SCHEMBL3184147 0.93 CASP1 (0.43) ALDH1A1CYP3A4MAPTGAAKDM4E
SCHEMBL22044673 0.92 HSD17B10 (0.48) TYRALDH1A1CYP3A4MAPTGAA
SCHEMBL22050433 0.86 CYP3A4 (0.45) TYRALDH1A1CYP3A4MAPTGAA
SCHEMBL22043953 0.81 CASP1 (0.41) ALDH1A1CYP3A4MAPTGAAKDM4E
SCHEMBL28478132 0.81 ALDH1A1 (0.41) TYRALDH1A1CYP3A4MAPTGAA
SCHEMBL10029310 0.81 GABRA1 (0.45) ALDH1A1CYP3A4MAPTGAAKDM4E
SCHEMBL28348786 0.77 ALDH1A1 (0.39) ALDH1A1CYP3A4GAACASP1TSHR
SCHEMBL51857 0.76 TYR (0.51) TYRALDH1A1CYP3A4MAPTGAA
SCHEMBL133754 0.76 TSHR (0.53) ALDH1A1CYP3A4MAPTKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6753363-B1 BASIC NITROGEN-CONTAINING COMPOUND, PHOSPHORUS COMPOUND FLAME RETARDANT, AND AROMATIC COMPOUND ACCELERATOR; MOLDABILITY POLYPLASTICS CO., LTD. (JP) 2004-06-22 US disclosed
US-6024895-A COMPRISING SOLUBLE, ELECTRICALLY CONDUCTING POLYMER HAVING SULFONIC ACID GROUP AND/OR CARBOXYL GROUP AND THERMALLY CROSS-LINKABLE OR ULTRAVIOLET- OR ELECTRON BEAM-CROSS-LINKABLE RESIN OR PAINT MITSUBISHI RAYON CO., LTD. (JP) 2000-02-15 US disclosed
EP-0844284-A1 CROSS-LINKABLE CONDUCTIVE COMPOSITION, CONDUCTOR, AND PROCESS FOR FORMING THE SAME NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1998-05-27 EP disclosed
EP-0837112-A2 Cross-linkable, electrically conductive composition, electric conductor and process for forming the same NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1998-04-22 EP disclosed