SCHEMBL7087739

SCHEMBL7087739

CCCCCCc1c[nH]c2ccc(Oc3c(C(F)(F)F)cc([N+](=O)[O-])cc3C(F)(F)F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.46
HTR1B P28222 11/20 0.46
HTR1D P28221 10/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HTR2A P28223 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LTA4H P09960 1/20 0.45
PLA2G2A P14555 1/20 0.45
THRA P10827 4/20 0.44

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
SCHEMBL7084248 0.99 LTA4H (0.46) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL7086847 0.96 LTA4H (0.46) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL7088959 0.92 LTA4H (0.48) HTR1AHTR1BHTR1DHTR2AMEN1
SCHEMBL7088534 0.85 HTR1B (0.48) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL7082793 0.84 LTA4H (0.48) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL7087277 0.84 HTR1B (0.52) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL7084815 0.83 THRA (0.50) HTR1AHTR1BHTR2AMEN1KMT2A
SCHEMBL6859305 0.82 THRA (0.66) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL6516472 0.81 THRA (0.53) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL7088062 0.81 LTA4H (0.48) HTR1AHTR1BHTR1DMAPTMAPK1

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-1268422-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES Bayer Aktiengesellschaft (DE) 2003-01-02 EP disclosed
WO-2001070687-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-27 WO disclosed