SCHEMBL7686964

SCHEMBL7686964

O=c1[nH]ncn1-c1ccc(-n2ncn(-c3ccc(OCC(F)(F)C(F)F)cc3)c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.39
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CMA1 P23946 1/20 0.34
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
ACACB O00763 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TNF P01375 1/20 0.31
MAPT P10636 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 0.90 HTT (0.46) HTTKMT2ASMN1; SMN2ALDH1A1CMA1
SCHEMBL7678488 0.87 HTT (0.41) HTTKMT2ASMN1; SMN2ALDH1A1CMA1
SCHEMBL7682361 0.86 HTT (0.38) HTTKMT2ASMN1; SMN2ALDH1A1PPARD
SCHEMBL8723261 0.84 ACACB (0.41) HTTKMT2ASMN1; SMN2ALDH1A1CMA1
SCHEMBL7678317 0.82 KMT2A (0.43) HTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7680577 0.78 KMT2A (0.48) HTTKMT2ASMN1; SMN2ALDH1A1PPARD
SCHEMBL7683090 0.78 KMT2A (0.46) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9232299 0.78 HTT (0.54) HTTCMA1GPR119TDP1TNF
SCHEMBL8718743 0.77 USP2 (0.46) HTTKMT2ASMN1; SMN2CMA1GPR119
SCHEMBL8721370 0.75 HTT (0.48) HTTKMT2ACMA1MMP13MMP14

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 2 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