SCHEMBL6957959

SCHEMBL6957959

CCc1ccc(C(=O)Oc2ccc3c(c2)CCN(c2nc(Nc4ccc(F)cc4)nc(C)c2C)C3C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
IDH1 O75874 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
RAB9A P51151 1/20 0.35
PPARG P37231 4/20 0.34
PPARA Q07869 4/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR1F P30939 1/20 0.33

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
SCHEMBL6961241 0.95 HTR2A (0.36) SMN1; SMN2NPSR1HTR2AHTR2CHTR2B
SCHEMBL6958506 0.93 SMN1; SMN2 (0.39) SMN1; SMN2NPSR1HTR2AHTR2CHTR2B
SCHEMBL6963151 0.93 HTR2A (0.35) SMN1; SMN2NPSR1HTR2AHTR2CHTR2B
SCHEMBL6958365 0.92 MAPT (0.38) SMN1; SMN2NPSR1HTR2AHTR2CHTR2B
SCHEMBL6962207 0.92 SMN1; SMN2 (0.38) SMN1; SMN2NPSR1HTR2AHTR2CHTR2B
SCHEMBL6961412 0.92 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1HTR2AHTR2CHTR2B
SCHEMBL6964622 0.90 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1HTR1AHTR1DHTR1B
SCHEMBL6957189 0.90 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1HTR2AHTR2CHTR2B
SCHEMBL6959003 0.89 TP53 (0.41) SMN1; SMN2NPSR1TP53MAPTKMT2A
SCHEMBL6966918 0.89 SMN1; SMN2 (0.36) SMN1; SMN2NPSR1HTR2AHTR2CHTR2B

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 5 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
EP-1015444-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2000-07-05 EP disclosed
WO-1998043968-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1998-10-08 WO disclosed