SCHEMBL7274092

SCHEMBL7274092

CCOC(=O)[C@H](Cc1cc([N+](=O)[O-])c(Sc2ccc(OC)c(Cc3ccc(OC)cc3)c2)c([N+](=O)[O-])c1)NC(=O)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
KMT2A Q03164 5/20 0.34
MEN1 O00255 3/20 0.34
PDE2A O00408 1/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 2/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
BMP1 P13497 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL7285392 0.90 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL7274397 0.89 ALDH1A1 (0.41) ALDH1A1PDE2AMAPT
SCHEMBL7285771 0.79 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1PDE2A
SCHEMBL7273900 0.78 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1PDE2A
SCHEMBL10414279 0.75 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1PDE2ALMNA
SCHEMBL7276676 0.74 ALDH1A1 (0.46) ALDH1A1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL7989753 0.70 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL5110447 0.68 MME (0.45) ALDH1A1SMN1; SMN2TP53RAB9AGAA
SCHEMBL5114514 0.68 MME (0.45) ALDH1A1SMN1; SMN2TP53RAB9AGAA
SCHEMBL8730077 0.65 BACE1 (0.43) KMT2A

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