SCHEMBL28828166

SCHEMBL28828166

Cc1ccncc1C(=O)NC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 2/20 0.43
SMYD3 Q9H7B4 1/20 0.41
TYK2 P29597 1/20 0.41
SYK P43405 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 1/20 0.41
APEX1 P27695 1/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL30064136 0.86 SIRT3 (0.43) SIRT3TDP1SMN1; SMN2POLBHPGD
SCHEMBL1423953 0.86 SIRT3 (0.43) SIRT3TDP1SMN1; SMN2POLBHPGD
SCHEMBL30171323 0.81 HPGD (0.42) SIRT3TDP1SMN1; SMN2POLBHPGD
SCHEMBL28948291 0.81 HPGD (0.42) SIRT3TDP1SMN1; SMN2POLBHPGD
SCHEMBL13162016 0.80 SIRT3 (0.61) SIRT3TDP1SMN1; SMN2SMYD3TYK2
SCHEMBL30107188 0.80 SIRT3 (0.61) SIRT3TDP1SMN1; SMN2SMYD3TYK2
SCHEMBL28064901 0.79 POLB (0.57) SMN1; SMN2POLBHPGDSYKAPEX1
SCHEMBL28064903 0.79 MEN1 (0.42) SMN1; SMN2POLBHPGDSYKRAB9A
SCHEMBL1877385 0.79 SIRT3 (0.65) SIRT3TDP1SMN1; SMN2SMYD3TYK2
SCHEMBL7344134 0.78 POLB (0.53) SMN1; SMN2POLBHPGDSYKL3MBTL1

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-105451558-A Pyrazolyl pyrrolinones and their use as herbicides SYNGENTA PARTICIPATIONS AG 2016-03-30 CN disclosed