SCHEMBL10650040

SCHEMBL10650040

CNCCCCNC(=O)C(F)(F)F

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.78
SMN1; SMN2 Q16637 2/20 0.78
POLB P06746 1/20 0.78
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
EPHX1 P07099 3/20 0.68
CA3 P07451 2/20 0.67
CA5A P35218 2/20 0.67
CA5B Q9Y2D0 2/20 0.67
CA14 Q9ULX7 2/20 0.67
CA2 P00918 2/20 0.67
CA12 O43570 1/20 0.67
CA4 P22748 1/20 0.67
CA6 P23280 1/20 0.67
CA7 P43166 1/20 0.67
CA9 Q16790 1/20 0.67
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
PGK1 P00558 1/20 0.41

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
SCHEMBL16221898 0.98 MEN1 (0.79) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL4147505 0.96 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL27889238 0.89 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL1328971 0.86 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL29982917 0.86 MEN1 (1.00) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL1389225 0.83 EPHX1 (0.96) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL22688574 0.82 CA14 (0.56) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL16808282 0.82 MEN1 (0.56) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL7716931 0.81 EPHX1 (1.00) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL13010044 0.81 EPHX1 (1.00) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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
WO-2018039621-A1 INHIBITION OF OLIG2 ACTIVITY Curtana Pharmaceuticals, Inc. (US) 2018-03-01 WO disclosed
EP-0215942-A4 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD. SUMMERTON JAMES 1988-08-23 EP disclosed
EP-0215942-A1 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD. SUMMERTON JAMES 1987-04-01 EP disclosed
WO-1986005519-A1 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD SUMMERTON JAMES 1986-09-25 WO disclosed