SCHEMBL7687627

SCHEMBL7687627

Nc1ccc(-n2ccn(-c3ccc(OCC(F)(F)C(F)F)cc3)c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ACACB O00763 1/20 0.38
MAOB P27338 5/20 0.38
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
TDP1 Q9NUW8 2/20 0.33
LIPE Q05469 3/20 0.32

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
SCHEMBL7682361 0.83 HTT (0.38) HTTKMT2ASMN1; SMN2ALDH1A1ACACB
SCHEMBL3885645 0.83 HTT (0.47) HTTKMT2ASMN1; SMN2ALDH1A1MAOB
SCHEMBL7687404 0.83 CFTR (0.47) HTTKMT2ASMN1; SMN2ALDH1A1MAOB
SCHEMBL7678488 0.82 HTT (0.41) HTTKMT2ASMN1; SMN2ALDH1A1ACACB
SCHEMBL7678541 0.81 HCRTR1 (0.35) HTTKMT2AALDH1A1MAOBTSHR
SCHEMBL8097559 0.78 ACACB (0.41) HTTKMT2ASMN1; SMN2ALDH1A1ACACB
SCHEMBL8873939 0.78 ACACB (0.41) HTTKMT2ASMN1; SMN2ALDH1A1ACACB
SCHEMBL8872841 0.77 ACACB (0.40) HTTKMT2ASMN1; SMN2ALDH1A1ACACB
SCHEMBL8873931 0.77 HTT (0.39) HTTKMT2ASMN1; SMN2ALDH1A1ACACB
SCHEMBL8105512 0.77 ACACB (0.40) HTTKMT2ASMN1; SMN2ALDH1A1ACACB

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