SCHEMBL16229294

SCHEMBL16229294

c1ccc2cc(C3Nc4cccc5cccc(c45)N3)ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 18/20 0.68
KMT2A Q03164 18/20 0.68
NPC1 O15118 8/20 0.68
GAA P10253 8/20 0.66
AR P10275 4/20 0.66
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 3/20 0.63
MAPT P10636 3/20 0.63
HPN P05981 1/20 0.63
POLB P06746 1/20 0.63
MCL1 Q07820 1/20 0.63
IDE P14735 1/20 0.62
HSP90AA1 P07900 1/20 0.57
RAB9A P51151 1/20 0.57

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
SCHEMBL13035675 0.85 MEN1 (0.84) MEN1KMT2ANPC1GAAAR
SCHEMBL13035699 0.81 MEN1 (1.00) MEN1KMT2ANPC1GAAAR
SCHEMBL12858471 0.79 AR (1.00) MEN1KMT2ANPC1GAAAR
SCHEMBL11568646 0.79 MEN1 (1.00) MEN1KMT2ANPC1GAAAR
SCHEMBL13035693 0.77 MEN1 (1.00) MEN1KMT2ANPC1GAAAR
SCHEMBL14709209 0.77 MEN1 (1.00) MEN1KMT2ANPC1GAAAR
SCHEMBL2031646 0.77 MEN1 (1.00) MEN1KMT2ANPC1GAAAR
SCHEMBL14709208 0.77 MEN1 (0.70) MEN1KMT2ANPC1GAAAR
SCHEMBL13035686 0.77 MEN1 (1.00) MEN1KMT2ANPC1GAAAR
SCHEMBL13035685 0.76 MEN1 (1.00) MEN1KMT2ANPC1GAAAR

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-8884012-B1 Dye compound and method of making the compound XEROX CORPORATION (US) 2014-11-11 US disclosed