SCHEMBL6966918

SCHEMBL6966918

CCCc1ccc(C(=O)Oc2ccc3c(c2)C(C)N(c2nc(Nc4ccc(F)cc4)nc(C)c2C)CC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR1F P30939 1/20 0.33
THRB P10828 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ABCB1 P08183 1/20 0.33
MAPT P10636 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL6962285 0.95 SMN1; SMN2 (0.35) SMN1; SMN2NPSR1KMT2AMEN1HTR1A
SCHEMBL6961241 0.94 HTR2A (0.36) SMN1; SMN2NPSR1KMT2AMEN1THRB
SCHEMBL6954411 0.91 SMN1; SMN2 (0.39) SMN1; SMN2NPSR1KMT2AMEN1HTR1A
SCHEMBL6970019 0.90 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1KMT2AMEN1HTR1A
SCHEMBL6963151 0.90 HTR2A (0.35) SMN1; SMN2NPSR1KMT2AMEN1THRB
SCHEMBL6957959 0.89 SMN1; SMN2 (0.38) SMN1; SMN2NPSR1KMT2AMEN1HTR1A
SCHEMBL6955513 0.87 NPSR1 (0.36) SMN1; SMN2NPSR1KMT2AMEN1HTR1A
SCHEMBL6957761 0.87 TP53 (0.40) SMN1; SMN2NPSR1KMT2AMEN1HTR1A
SCHEMBL6963615 0.86 KMT2A (0.35) SMN1; SMN2NPSR1KMT2AMEN1HTR1A
SCHEMBL6958365 0.86 MAPT (0.38) SMN1; SMN2NPSR1KMT2AMAPTHTR2A

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