SCHEMBL7284955

SCHEMBL7284955

COc1cccc(Cc2cc(Sc3c(Cl)cc(C#N)cc3Cl)ccc2OC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.38
MPO P05164 1/20 0.36
SLC6A4 P31645 2/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
PDE5A O76074 3/20 0.33
PDE10A Q9Y233 1/20 0.32
HPGDS O60760 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
CYP2C19 P33261 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL7273774 0.81 CSF1R (0.40) ARPDE5ACYP2C9
SCHEMBL7276444 0.63 MAPT (0.41) ALDH1A1MAPTPDE5ACYP1A2CYP3A4
SCHEMBL28031732 0.62 MPO (0.49) MPOALDH1A1KCNH2
SCHEMBL2706758 0.60 MAOA (0.54) ARSLC6A4ALDH1A1MAPTMEN1
SCHEMBL29920922 0.60 KDM1A (0.41) MPOMAPTPDE10AMEN1KMT2A
SCHEMBL17391197 0.60 KDM1A (0.41) MPOMAPTPDE10AMEN1KMT2A
SCHEMBL524339 0.59 AR (0.58) ARSLC6A4ALDH1A1MAPTPDE5A
SCHEMBL29687043 0.59 AR (0.58) ARSLC6A4ALDH1A1MAPTPDE5A
SCHEMBL14423573 0.58 AR (0.58) ARALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL8485251 0.58 KDM1A (0.52) MPOSLC6A4SLC6A3KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5061798-A Intermediates in the formation of synthetic hormones, mimic effects of thyroid hormones; little or no effect on the heart SMITH KLINE & FRENCH LABORATORIES, LTD. (GB) 1991-10-29 US disclosed
EP-0188351-B1 CHEMICAL COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-03-13 EP disclosed
US-4910305-A Containing a protected 4-hydroxyphenyl SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-03-20 US disclosed
US-4826876-A WITHOUT EFFECT ON HEART SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-05-02 US disclosed
US-4766121-A NOT AFFECTING THE HEART SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1988-08-23 US disclosed
EP-0188351-A2 Chemical compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-07-23 EP disclosed