SCHEMBL7273774

SCHEMBL7273774

COc1ccc(Cc2cc(Sc3c(Cl)cc(C#N)cc3Cl)ccc2OC)cn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.40
NR3C1 P04150 1/20 0.38
PDE5A O76074 14/20 0.36
AR P10275 1/20 0.36
PDE6D O43924 2/20 0.35
PDE6A P16499 2/20 0.35
PDE6G P18545 2/20 0.35
PDE6B P35913 2/20 0.35
PDE6C P51160 2/20 0.35
PDE6H Q13956 2/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL7276444 0.82 MAPT (0.41) PDE5ACYP2C9
SCHEMBL7284955 0.81 AR (0.38) PDE5AARCYP2C9
SCHEMBL7274146 0.80 CSF1R (0.38) CSF1RPDE5ACYP2C9
SCHEMBL7282033 0.79 TUBB4A (0.40) CSF1RCYP2C9
SCHEMBL7281994 0.73 ALDH1A1 (0.41) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL10563236 0.72 ALDH1A1 (0.39) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7284246 0.70 CYP19A1 (0.45) CSF1R
SCHEMBL7274014 0.70 TUBB4A (0.40) CSF1RCYP2C9
SCHEMBL7284359 0.70 CYP2C9 (0.41) CSF1RCYP2C9
SCHEMBL7273897 0.69 ALDH1A1 (0.52) CSF1RCYP2C9

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