SCHEMBL19005461

SCHEMBL19005461

C=CC(C)Nc1cccc(NC(C)C(C)O)c1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL19005462 0.88 TDP1 (0.38) MEN1KMT2ATDP1
SCHEMBL19005459 0.86 MEN1 (0.43) MEN1KMT2ATDP1
SCHEMBL19005458 0.78 MEN1 (0.36) MEN1KMT2ATDP1
SCHEMBL19005460 0.75 MEN1 (0.41) MEN1KMT2A
SCHEMBL27337982 0.74 TDP1 (0.56) MEN1KMT2ATDP1
SCHEMBL2350755 0.74 TDP1 (0.56) MEN1KMT2ATDP1
SCHEMBL24235222 0.74 HPGD (0.49) MEN1KMT2ATDP1
SCHEMBL28172850 0.72 TDP1 (0.58) MEN1KMT2ATDP1
SCHEMBL14515472 0.72 TDP1 (0.58) MEN1KMT2ATDP1
SCHEMBL9313156 0.65 TDP1 (0.67) MEN1KMT2ATDP1

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-20170174537-A1 SELECTIVELY PERMEABLE GRAPHENE OXIDE MEMBRANE NITTO DENKO CORPORATION (JP) 2017-06-22 US disclosed