SCHEMBL7150272

SCHEMBL7150272

N#COc1ccccc1/C=C/C(=O)c1ccccc1OC#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.55
MAOB P27338 5/20 0.55
NR1H4 Q96RI1 3/20 0.51
ABCG2 Q9UNQ0 1/20 0.49
BCHE P06276 2/20 0.49
GUSB P08236 1/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
TFEB P19484 1/20 0.45
NFE2L2 Q16236 1/20 0.45

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
SCHEMBL6536304 0.84 HTT (0.61) BCHEMAPTKDM4EHTTNPC1
SCHEMBL7150278 0.79 MAPT (0.56) MAOBNR1H4BCHEMAPTALDH1A1
SCHEMBL4535102 0.78 AR (0.80) ARMAOBNR1H4ABCG2BCHE
SCHEMBL10861605 0.74 KDM4E (0.53) MAPTKDM4EMEN1ALDH1A1POLB
SCHEMBL15631497 0.74 ABCG2 (0.68) ARMAOBNR1H4ABCG2BCHE
SCHEMBL29032542 0.73 NFE2L2 (0.39) BCHEMAPTKDM4EMEN1ALDH1A1
SCHEMBL10699258 0.73 ALDH1A1 (0.44) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL11848066 0.73 LMNA (0.51) MAPTKDM4EALDH1A1HPGDHTT
SCHEMBL10614570 0.71 NFE2L2 (0.59) MAOBNFE2L2CYP1A1CYP1B1
SCHEMBL10614563 0.71 NFE2L2 (0.59) MAOBNFE2L2CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653497-B1 Reacting dihydroxychalcone with cyanogen chloride or bromide and triethylamine; chemical intermediates LONZA AG (CH) 2003-11-25 US claimed
EP-1202958-B1 DICYANATOCHALCONES AND METHOD FOR THE PRODUCTION THEREOF LONZA AG (CH) 2003-10-22 EP claimed
US-6653497-B1 Reacting dihydroxychalcone with cyanogen chloride or bromide and triethylamine; chemical intermediates LONZA AG (CH) 2003-11-25 US disclosed
US-6653497-B1 Reacting dihydroxychalcone with cyanogen chloride or bromide and triethylamine; chemical intermediates LONZA AG (CH) 2003-11-25 US disclosed
EP-1202958-B1 DICYANATOCHALCONES AND METHOD FOR THE PRODUCTION THEREOF LONZA AG (CH) 2003-10-22 EP disclosed
EP-1202958-A1 DICYANATOCHALCONES AND METHOD FOR THE PRODUCTION THEREOF Lonza AG (CH) 2002-05-08 EP disclosed
WO-2001010824-A1 DICYANATOCHALCONES AND METHOD FOR THE PRODUCTION THEREOF LONZA AG (CH) 2001-02-15 WO disclosed