SCHEMBL19672945

SCHEMBL19672945

CCSCC(=O)c1ccc(OCC(F)(F)C(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ BACE1 P56817 2/20 0.40
▸ BACE2 Q9Y5Z0 1/20 0.40
▸ ACACB O00763 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CFTR P13569 2/20 0.35
▸ USP2 O75604 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34

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
SCHEMBL19992532 0.85 BACE1 (0.38) SMN1; SMN2BACE1BACE2ALDH1A1USP2
SCHEMBL17992189 0.81 KMT2A (0.41) HTTKMT2ASMN1; SMN2BACE1BACE2
SCHEMBL17668770 0.81 KMT2A (0.47) HTTKMT2ASMN1; SMN2BACE1BACE2
SCHEMBL1974946 0.79 P4HTM (0.52) HTTKMT2ASMN1; SMN2BACE1BACE2
SCHEMBL15669996 0.79 KMT2A (0.44) HTTKMT2ASMN1; SMN2BACE1BACE2
SCHEMBL1973974 0.79 KMT2A (0.48) HTTKMT2ASMN1; SMN2BACE1BACE2
SCHEMBL18811649 0.75 BACE1 (0.38) HTTKMT2ASMN1; SMN2BACE1BACE2
SCHEMBL28883583 0.75 ALDH1A1 (0.35) ACACBALDH1A1NPSR1MAPTP4HTM
SCHEMBL17992215 0.72 BACE1 (0.39) HTTKMT2ASMN1; SMN2BACE1BACE2
SCHEMBL28028511 0.71 KMT2A (0.45) HTTKMT2ASMN1; SMN2BACE1BACE2

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
EP-3252041-B1 BIPYRIDINE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL SUMITOMO CHEMICAL CO (JP) 2020-03-04 — — EP disclosed
EP-3252041-A1 BIPYRIDINE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL Sumitomo Chemical Company, Limited (JP) 2017-12-06 — — EP disclosed
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