SCHEMBL7678488

SCHEMBL7678488

O=c1[nH]ncn1-c1ccc(-n2ccn(-c3ccc(OCC(F)(F)C(F)F)cc3)c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CMA1 P23946 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
ACACB O00763 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
TNF P01375 1/20 0.33
GRM3 Q14832 1/20 0.32
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6174527 0.94 HTT (0.46) HTTKMT2ASMN1; SMN2CMA1ALDH1A1
SCHEMBL8723261 0.87 ACACB (0.41) HTTKMT2ASMN1; SMN2CMA1ALDH1A1
SCHEMBL7686964 0.87 HTT (0.39) HTTKMT2ASMN1; SMN2CMA1ALDH1A1
SCHEMBL7687627 0.82 HTT (0.39) HTTKMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL9232299 0.81 HTT (0.54) HTTCMA1TDP1GPR119TNF
SCHEMBL8718743 0.80 USP2 (0.46) HTTKMT2ASMN1; SMN2CMA1TDP1
SCHEMBL8721370 0.79 HTT (0.48) HTTKMT2ACMA1TDP1GPR119
SCHEMBL7687404 0.78 CFTR (0.47) HTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL8105481 0.77 HTT (0.39) HTTKMT2ASMN1; SMN2CMA1ALDH1A1
SCHEMBL8718390 0.76 HTT (0.50) HTTSMN1; SMN2CMA1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362206-B1 FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-26 US disclosed
US-6034248-A FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 US disclosed
EP-0809640-A1 AZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-03 EP disclosed
WO-1996025410-A1 AZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-22 WO disclosed