SCHEMBL19749970

SCHEMBL19749970

NCCN(CCN)CCNc1ccc(F)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
BLM P54132 2/20 0.48
NSD2 O96028 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
EGFR P00533 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAD52 P43351 1/20 0.47
RECQL P46063 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TOP2B Q02880 2/20 0.47
NPC1 O15118 1/20 0.45
MTOR P42345 1/20 0.45

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
SCHEMBL18063023 0.93 MEN1 (0.54) MEN1KMT2APOLBBLMNSD2
SCHEMBL19743776 0.84 MALT1 (0.54) MEN1KMT2APOLBBLMNSD2
SCHEMBL18088589 0.82 MEN1 (0.39) MEN1KMT2APOLBBLMNSD2
SCHEMBL18087423 0.82 KMT2A (0.43) MEN1KMT2APOLBBLMNSD2
SCHEMBL20482316 0.79 SMN1; SMN2 (0.59) MEN1KMT2APOLBBLMNSD2
SCHEMBL29886736 0.78 MEN1 (0.63) MEN1KMT2APOLBBLMNSD2
SCHEMBL4198607 0.78 MEN1 (0.63) MEN1KMT2APOLBBLMNSD2
SCHEMBL7152625 0.77 TERT (0.57) MEN1KMT2APOLBBLMNSD2
SCHEMBL18063171 0.77 MEN1 (0.46) MEN1KMT2APOLBBLMNSD2
SCHEMBL8603851 0.75 TOP2B (0.62) MEN1KMT2APOLBBLMNSD2

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-9849072-B2 Method of coloring hair with direct dye compounds NOXELL CORPORATION (US) 2017-12-26 US disclosed