SCHEMBL28853045

SCHEMBL28853045

C=C(OC)C(=O)OC(=O)c1cc(C#N)cc(C)c1N

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
CISD2 Q8N5K1 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GPR35 Q9HC97 2/20 0.32
POLB P06746 1/20 0.31
SETD7 Q8WTS6 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL14645844 0.83 ALDH1A1 (0.49) KDM4EALDH1A1HPGDCISD2SMN1; SMN2
SCHEMBL12326381 0.75 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2MAPTRXFP1
SCHEMBL15733279 0.75 KDM4E (0.45) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL24287368 0.74 KDM4E (0.33) KDM4EALDH1A1GPR35
SCHEMBL28184946 0.74 CYP2D6 (0.41) KDM4EALDH1A1HPGDCISD2SMN1; SMN2
SCHEMBL15733357 0.74 ADORA2A (0.46) KDM4EALDH1A1HPGDCISD2SMN1; SMN2
SCHEMBL951068 0.73 KDM4E (0.59) KDM4EGPR35
SCHEMBL21990971 0.73 KDM4E (0.42) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL29669953 0.73 KDM4E (0.59) KDM4EGPR35
SCHEMBL19125812 0.73 KDM4E (0.42) KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103702978-B Process for preparing 2-amino-5-cyano-N, 3-dimethylbenzamide 拜耳知识产权有限责任公司 2018-03-06 CN disclosed
CN-107365263-A Process for preparing 2-amino-5-cyano-N, 3-dimethylbenzamide 拜耳知识产权有限责任公司 2017-11-21 CN disclosed