SCHEMBL6542089

SCHEMBL6542089

C=Cc1ccc(C2=CNN(c3cccc4ccccc34)O2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTR1A P08908 1/20 0.33
CYP2D6 P10635 1/20 0.33
NCF1 P14598 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
MTOR P42345 1/20 0.33
HTR3A P46098 1/20 0.33
HTR5A P47898 1/20 0.33
HTR6 P50406 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL6542091 0.77 HSP90AA1 (0.34) HTR3EHTR3BHTR3AHTR5AHTR3D
SCHEMBL7804058 0.76 POLB (0.42) HTR3EHTR3BCYP1A2HTR1ACYP2D6
SCHEMBL7627204 0.76 ALDH1A1 (0.36) TSHRALDH1A1POLBNPC1MAPK1
SCHEMBL6151802 0.69 GRM1 (0.39) TSHRALDH1A1
SCHEMBL766101 0.68 SMN1; SMN2 (0.43)
SCHEMBL669167 0.66 CA12 (0.49) CYP1A2TSHRMEN1KMT2AALDH1A1
SCHEMBL5888562 0.62 HPRT1 (0.48) CYP1A2TSHRHSD17B10MEN1KMT2A
SCHEMBL8758894 0.62 ALDH1A1 (0.48) CYP1A2TSHRHSD17B10MEN1KMT2A
SCHEMBL16781955 0.62 FAAH (0.40) CYP1A2CYP2D6TSHRHSD17B10MEN1
SCHEMBL1697601 0.61 DHFR (0.40) CYP1A2TSHRNFKB1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11060660-A None JP disclosed
WO-2004030029-A2 CONDUCTING POLYMER DEVICES FOR INTER-CONVERTING LIGHT AND ELECTRICITY RISØ NATIONAL LABORATORY (DK) 2004-04-08 WO disclosed
JP-2001126875-A ORGANIC ELECTROLUMINESCENT MATERIAL JSR CORP 2001-05-11 JP disclosed
US-6007928-A HIGH LUMINOUS EFFICIENCY AND EXCELLENT DURABILITY JSR CORPORATION (JP) 1999-12-28 US disclosed
JP-H1160660-A BLOCK COPOLYMER AND ITS PRODUCTION JSR CORP 1999-03-02 JP disclosed