SCHEMBL28290881

SCHEMBL28290881

O=C(CO)n1cc(-c2ccccc2)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 8/20 0.47
MEN1 O00255 1/20 0.47
CASP3 P42574 1/20 0.47
KMT2A Q03164 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ABHD6 Q9BV23 7/20 0.46
CYP19A1 P11511 2/20 0.46
HDAC3 O15379 5/20 0.45
HDAC4 P56524 5/20 0.45
HDAC1 Q13547 5/20 0.45
HDAC7 Q8WUI4 5/20 0.45
HDAC2 Q92769 5/20 0.45
HDAC10 Q969S8 5/20 0.45
HDAC11 Q96DB2 5/20 0.45
HDAC8 Q9BY41 5/20 0.45
HDAC6 Q9UBN7 5/20 0.45
HDAC9 Q9UKV0 5/20 0.45
HDAC5 Q9UQL6 5/20 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
SCHEMBL28135749 0.85 DAGLA (0.52) DAGLAMEN1CASP3KMT2ASENP8
SCHEMBL27824322 0.82 DAGLA (0.54) DAGLAMEN1CASP3KMT2ASENP8
SCHEMBL28291213 0.72 ABHD6 (0.49) DAGLAMEN1CASP3KMT2ASENP8
SCHEMBL11815716 0.71 SRC (0.61) MEN1CASP3KMT2ASENP8SENP7
SCHEMBL31300250 0.70 KMT2A (0.45) DAGLAMEN1CASP3KMT2ASENP8
SCHEMBL424359 0.70 ALDH1A1 (0.51) DAGLAABHD6
SCHEMBL29050559 0.70 ALOX5 (0.48) DAGLAMEN1CASP3KMT2ASENP8
SCHEMBL15057938 0.69 NR1H4 (0.70) MEN1CASP3KMT2ASENP8SENP7
SCHEMBL30556704 0.69 SRC (0.58) MEN1CASP3KMT2ASENP8SENP7
SCHEMBL28135748 0.69 HDAC8 (0.64) MEN1CASP3KMT2ASENP8SENP7

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
CN-109553643-A The application of monosaccharide analog and molecular probe and the molecular probe comprising it 深圳先进技术研究院 2019-04-02 CN disclosed