SCHEMBL7274146

SCHEMBL7274146

COc1ccc(Cc2cc(SC#N)ccc2OC)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 4/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38
DAO P14920 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36

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
SCHEMBL7282033 0.86 TUBB4A (0.40) CSF1RCYP2C9CYP2C19DAOTUBB4A
SCHEMBL7285487 0.81 MAOB (0.47) CSF1RALDH1A1POLBMAPTTUBB4A
SCHEMBL7273774 0.80 CSF1R (0.40) CSF1RCYP2C9PDE5A
SCHEMBL7274014 0.77 TUBB4A (0.40) CSF1RCYP2C9CYP2C19TUBB4ATUBB
SCHEMBL7284359 0.77 CYP2C9 (0.41) CSF1RCYP2C9CYP2C19TUBB4ATUBB
SCHEMBL7284246 0.77 CYP19A1 (0.45) CSF1RPOLBDAOTUBB4ATUBB
SCHEMBL7283731 0.73 LTA4H (0.47)
SCHEMBL7276444 0.72 MAPT (0.41) ALDH1A1POLBMAPTCYP2C9CYP2C19
Perchlorate SCHEMBL7281329 0.72 CYP2C9 (0.38) CSF1RPOLBCYP2C9CYP2C19TUBB4A
SCHEMBL3408344 0.69 AR (0.46) ALDH1A1POLBMAPT

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