SCHEMBL6935651

SCHEMBL6935651

C=CC(=O)NCc1nc2ccccc2n1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
RECQL P46063 1/20 0.56
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 4/20 0.56
KDM4E B2RXH2 2/20 0.55
HDAC6 Q9UBN7 1/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 3/20 0.53
TSHR P16473 1/20 0.52
TP53 P04637 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51

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
SCHEMBL13649464 0.83 MAPT (0.72) MAPTMEN1KMT2ARECQLNPC1
SCHEMBL2937868 0.83 MAPT (0.72) MAPTMEN1KMT2ARECQLNPC1
SCHEMBL8401361 0.81 MAPT (0.69) MAPTMEN1KMT2ARECQLNPC1
SCHEMBL12862985 0.81 RECQL (0.78) MAPTMEN1KMT2ARECQLNPC1
SCHEMBL8118484 0.80 MAPT (1.00) MAPTMEN1KMT2ARECQLNPC1
SCHEMBL31124209 0.78 MAPT (0.66) MAPTMEN1KMT2ARECQLNPC1
SCHEMBL11701350 0.76 MEN1 (0.63) MAPTMEN1KMT2ARECQLNPC1
SCHEMBL13211952 0.76 MEN1 (0.70) MAPTMEN1KMT2ARECQLNPC1
SCHEMBL28366489 0.76 MAPT (0.70) MAPTMEN1KMT2ARECQLNPC1
SCHEMBL30466612 0.76 MAPT (0.70) MAPTMEN1KMT2ARECQLNPC1

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
WO-2011114275-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-09-22 WO disclosed