SCHEMBL29080415

SCHEMBL29080415

CC(=O)CC(=O)c1cc(N)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
THRB P10828 2/20 0.53
RECQL P46063 2/20 0.53
USP2 O75604 1/20 0.53
POLB P06746 1/20 0.53
PKM P14618 1/20 0.53
APEX1 P27695 1/20 0.53
BLM P54132 1/20 0.53
MCL1 Q07820 1/20 0.53
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 5/20 0.41
GAA P10253 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 1/20 0.41
NOS2 P35228 3/20 0.41

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
SCHEMBL5507340 0.84 MAPT (0.49) MAPTKMT2AMEN1TDP1THRB
SCHEMBL11575893 0.82 KEAP1 (0.58) MAPTALDH1A1KDM4EGAAHSD17B10
SCHEMBL10964252 0.82 NOS2 (0.60) MAPTKMT2AMEN1RECQLUSP2
SCHEMBL11575664 0.82 KDM4E (0.58) MAPTPOLBALDH1A1KDM4EGAA
SCHEMBL9041388 0.81 MAPT (0.57) MAPTKMT2AMEN1TDP1THRB
SCHEMBL11576263 0.80 TDP1 (0.50) MAPTKMT2AMEN1TDP1POLB
SCHEMBL11026476 0.80 NOS2 (0.62) MAPTKMT2AMEN1TDP1THRB
SCHEMBL11573503 0.78 SETDB1 (0.39) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL27639016 0.78 RAPGEF4 (0.42) MAPTKMT2AMEN1TDP1THRB
SCHEMBL1682394 0.78 KMT2A (0.63) MAPTKMT2AMEN1TDP1THRB

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-115491051-A Preparation method and application of pigment yellow 155 德州学院 2022-12-20 CN claimed