SCHEMBL27616342

SCHEMBL27616342

CCOc1ccccc1CNC(=O)c1nc(-c2ccc(CN)cc2)n(C)c(=O)c1O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
POLB P06746 3/20 0.46
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 4/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 3/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
ADORA2A P29274 1/20 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
SCHEMBL1150467 0.91 THRB (0.52) THRBMEN1KMT2ACCNCCDK8
SCHEMBL27616343 0.81 KCNE1 (0.54) MEN1KMT2APOLBSMN1; SMN2TP53
SCHEMBL1150935 0.77 ROCK2 (0.52) THRBKDM4ESMN1; SMN2TP53MAPT
SCHEMBL1150113 0.77 ROCK2 (0.46) KDM4ESMN1; SMN2TP53MAPTALDH1A1
SCHEMBL1150469 0.76 ROCK2 (0.47) MEN1KMT2AKDM4ESMN1; SMN2TP53
SCHEMBL6017840 0.75 ALDH1A1 (0.55) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL6017760 0.74 SMN1; SMN2 (0.57) MEN1KMT2APOLBSMN1; SMN2MAPT
SCHEMBL1150462 0.74 LMNA (0.46) THRBMEN1KMT2APOLBTP53
SCHEMBL14260085 0.74 KMT2A (0.53) MEN1KMT2APOLBSMN1; SMN2TP53
SCHEMBL5123540 0.73 THRB (0.49) THRBMEN1KMT2ACCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1700918-B N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ANGELETTI P IST RICHERCHE BIO 2011-06-08 CN claimed
CN-1700918-A N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ANGELETTI P IST RICHERCHE BIO (IT) 2005-11-23 CN claimed
CN-1700918-B N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ANGELETTI P IST RICHERCHE BIO 2011-06-08 CN disclosed
CN-1700918-A N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ANGELETTI P IST RICHERCHE BIO (IT) 2005-11-23 CN disclosed