SCHEMBL7285392

SCHEMBL7285392

CCOC(=O)[C@H](Cc1cc([N+](=O)[O-])c(Sc2ccc(OC)c(Cc3ccc(OC)nc3)c2)c([N+](=O)[O-])c1)NC(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.44
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 5/20 0.32
HTT P42858 2/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 1/20 0.31
PTBP1 P26599 1/20 0.30

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
SCHEMBL7274092 0.90 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL7285771 0.90 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL7273900 0.89 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL7274397 0.79 ALDH1A1 (0.41) ALDH1A1
SCHEMBL7273661 0.75 FOLH1 (0.37)
SCHEMBL7276676 0.72 ALDH1A1 (0.46) ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL10414279 0.71 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ALMNA
SCHEMBL7276444 0.70 MAPT (0.41) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL7281994 0.69 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL7989753 0.68 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ALMNAGAA

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