SCHEMBL9873216

SCHEMBL9873216

CC=NN(c1nc(C)cc(CF)n1)c1ccccc1C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 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
SCHEMBL11500818 0.87 MEN1 (0.41) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL9874395 0.86
SCHEMBL9874096 0.85 MEN1 (0.34) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL9871760 0.79 MEN1 (0.32) MEN1KMT2A
SCHEMBL9871785 0.77 MEN1 (0.34) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL9873485 0.68 CRHR1 (0.31)
SCHEMBL9873222 0.66
SCHEMBL9873100 0.65 ALDH1A1 (0.37) ALDH1A1
SCHEMBL11500135 0.65 ALDH1A1 (0.33) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL11251370 0.65 ALDH1A1 (0.33) MEN1KMT2AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5010082-A Fungicides, microbiocides CIBA-GEIGY CORPORATION (US) 1991-04-23 US disclosed