SCHEMBL9641983

SCHEMBL9641983

CC(=O)NN(C=C(C#N)C#N)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
RAB9A P51151 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 7/20 0.38
MEN1 O00255 5/20 0.38
MAPT P10636 5/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
HTT P42858 1/20 0.35

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
SCHEMBL1239231 0.78 MTNR1A (0.42) KMT2ARAB9AL3MBTL1ALDH1A1MEN1
SCHEMBL6963070 0.76 MTNR1A (0.43) KMT2ARAB9AL3MBTL1ALDH1A1MEN1
SCHEMBL11805141 0.71 ALDH1A1 (0.43) KMT2ARAB9AL3MBTL1ALDH1A1MEN1
SCHEMBL11678005 0.70 TRPA1 (0.38) KMT2ARAB9AL3MBTL1ALDH1A1MEN1
SCHEMBL12305493 0.68 KMT2A (0.53) KMT2ARAB9AL3MBTL1ALDH1A1MEN1
SCHEMBL3663001 0.67 RAB9A (0.36) KMT2ARAB9AL3MBTL1ALDH1A1MEN1
SCHEMBL9130749 0.66 MTNR1A (0.47) KMT2ARAB9AL3MBTL1ALDH1A1MEN1
SCHEMBL8505339 0.66 HTT (0.54) KMT2ARAB9AALDH1A1MEN1NPC1
SCHEMBL6963066 0.66 MTNR1A (0.43) KMT2ARAB9AL3MBTL1ALDH1A1MEN1
SCHEMBL11037387 0.66 RAB9A (0.39) KMT2ARAB9AL3MBTL1ALDH1A1MEN1

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-5171803-A Copolymer with side chains exhibiting nonlinear optical response HOECHST CELANESE CORP. 1992-12-15 US disclosed