SCHEMBL28309751

SCHEMBL28309751

COC(=O)c1ccccc1NC(=O)CN(C)CCO

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
TSHR P16473 3/20 0.58
KDM4E B2RXH2 6/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 5/20 0.56
HSD17B10 Q99714 3/20 0.56
MAPK10 P53779 1/20 0.54
MEN1 O00255 2/20 0.54
POLB P06746 1/20 0.54
GLA P06280 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
TP53 P04637 1/20 0.53
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 1/20 0.51

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
Hydrochloric Acid SCHEMBL7141652 0.83 KMT2A (0.71) KMT2ATSHRKDM4ELMNAALDH1A1
SCHEMBL10811010 0.81 KMT2A (0.59) KMT2ATSHRKDM4ELMNAALDH1A1
SCHEMBL28141075 0.80 ALDH1A1 (0.55) KDM4ELMNAALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL10502377 0.79 KMT2A (1.00) KMT2ATSHRKDM4EALDH1A1HSD17B10
SCHEMBL28309027 0.79 LMNA (0.62) KMT2AKDM4ELMNAALDH1A1MEN1
SCHEMBL28141072 0.77 KMT2A (0.61) KMT2ATSHRKDM4ELMNAALDH1A1
SCHEMBL9958465 0.76 KMT2A (0.81) KMT2ATSHRKDM4ELMNAALDH1A1
SCHEMBL12730395 0.75 KMT2A (0.78) KMT2ATSHRKDM4ELMNAALDH1A1
SCHEMBL4734803 0.75 KMT2A (0.78) KMT2ATSHRKDM4EALDH1A1HSD17B10
SCHEMBL5928699 0.75 KMT2A (0.78) KMT2ATSHRKDM4EALDH1A1HSD17B10

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-106632092-B A kind of 1,3- dimethyl -7- substituted quinazoline -2,4- cyclohexadione compounds and its synthetic method and application 重庆智合生物医药有限公司 2019-07-16 CN disclosed
CN-106632092-A 1,3-dimethyl-7-substituted-quinazolinyl-2,4-diones, and synthesis method and application thereof 重庆智合生物医药有限公司 2017-05-10 CN disclosed