SCHEMBL7087428

SCHEMBL7087428

CCCCCCc1c[nH]c2ccc(Oc3c(Cl)c[c]cc3Cl)cc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 13/20 0.53
HTR1A P08908 13/20 0.53
HTR1D P28221 10/20 0.53
MAPT P10636 2/20 0.53
MAPK1 P28482 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
CYP2D6 P10635 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
HTR2A P28223 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SLC6A4 P31645 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.43

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
SCHEMBL7085304 0.99 HTR1B (0.52) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL7088077 0.92 HTR1A (0.47) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL6987463 0.87 HTR1A (0.53) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL7090659 0.85 HTR1A (0.52) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL6512219 0.81 KDM4E (0.49) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL6512696 0.81 HTR1B (0.49) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL6985830 0.81 HTR2A (0.49) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL6511588 0.80 KDM4E (0.50) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL6517197 0.79 HTR1A (0.48) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL7088686 0.79 HTR1B (0.57) HTR1BHTR1AHTR1DMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347959-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
WO-2002051805-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 WO disclosed