SCHEMBL6962285

SCHEMBL6962285

CCCCCc1ccc(C(=O)Oc2ccc3c(c2)C(C)N(c2nc(Nc4ccc(F)cc4)nc(C)c2C)CC3)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 4/20 0.34
KCNH3 Q9ULD8 1/20 0.33
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HTR1F P30939 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
RAB9A P51151 1/20 0.32
KCNA5 P22460 1/20 0.32
NFE2L2 Q16236 1/20 0.32
ABCB1 P08183 1/20 0.32
MOGAT2 Q3SYC2 1/20 0.32
HTT P42858 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 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
SCHEMBL6966918 0.95 SMN1; SMN2 (0.36) SMN1; SMN2NPSR1MAPTHTR1AHTR1D
SCHEMBL6963151 0.94 HTR2A (0.35) SMN1; SMN2NPSR1MAPTKCNH3KMT2A
SCHEMBL6961241 0.90 HTR2A (0.36) SMN1; SMN2NPSR1MAPTKMT2AMEN1
SCHEMBL6954411 0.89 SMN1; SMN2 (0.39) SMN1; SMN2NPSR1MAPTHTR1AHTR1D
SCHEMBL6970019 0.88 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1MAPTKCNH3HTR1A
SCHEMBL6957959 0.87 SMN1; SMN2 (0.38) SMN1; SMN2NPSR1MAPTHTR1AHTR1D
SCHEMBL6958365 0.87 MAPT (0.38) SMN1; SMN2NPSR1MAPTKMT2AHTR2A
SCHEMBL6963612 0.86 KMT2A (0.35) SMN1; SMN2NPSR1MAPTKCNH3HTR1A
SCHEMBL6955513 0.85 NPSR1 (0.36) SMN1; SMN2NPSR1MAPTHTR1AHTR1D
SCHEMBL6957761 0.85 TP53 (0.40) SMN1; SMN2NPSR1MAPTHTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP claimed
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed