SCHEMBL28110421

SCHEMBL28110421

Cc1cccc(N)c1C(=O)NC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
CD44 P16070 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.38
EGFR P00533 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
PDGFRA P16234 1/20 0.36

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
SCHEMBL5940564 0.89 KDM4E (0.45) KDM4EPOLBALDH1A1SMN1; SMN2TP53
SCHEMBL4598275 0.87 MEN1 (0.44) KDM4EPOLBALDH1A1SMN1; SMN2HPGD
SCHEMBL8234056 0.81 CRBN (0.45) KDM4EPOLBALDH1A1SMN1; SMN2TP53
SCHEMBL2061352 0.80 CD44 (0.43) KDM4EPOLBALDH1A1SMN1; SMN2CD44
SCHEMBL4919855 0.79 TYK2 (0.55) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL6744852 0.79 MEN1 (0.39) KDM4EPOLBALDH1A1SMN1; SMN2TP53
SCHEMBL18131339 0.79 CES2 (0.44) POLBMEN1KMT2AMAPT
SCHEMBL28110420 0.79 CA12 (0.47) KDM4EALDH1A1HPGDKMT2AMAPT
SCHEMBL6648364 0.76 KDM4E (0.51) KDM4EPOLBALDH1A1SMN1; SMN2HPGD
SCHEMBL5564083 0.76 CD44 (0.39) KDM4EPOLBALDH1A1SMN1; SMN2CD44

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-106146414-A Quinazoline diones analog derivative and its production and use 浙江大学 2016-11-23 CN disclosed