SCHEMBL6958506

SCHEMBL6958506

Cc1ccc(C(=O)Oc2ccc3c(c2)CCN(c2nc(Nc4ccc(F)cc4)nc(C)c2C)C3C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SRC P12931 1/20 0.35
CCNE1 P24864 3/20 0.35
CDK2 P24941 3/20 0.35
KMT2A Q03164 4/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
LMNA P02545 1/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR1F P30939 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 3/20 0.34
SRD5A1 P18405 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
SCHEMBL6962207 0.94 SMN1; SMN2 (0.38) SMN1; SMN2NPSR1SRCCCNE1CDK2
SCHEMBL6954411 0.94 SMN1; SMN2 (0.39) SMN1; SMN2NPSR1SRCCCNE1CDK2
SCHEMBL6961412 0.94 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1SRCCCNE1CDK2
SCHEMBL6957959 0.93 SMN1; SMN2 (0.38) SMN1; SMN2NPSR1KMT2AHTR2AHTR2C
SCHEMBL6964622 0.93 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1HTR1AHTR1DHTR1B
SCHEMBL6957189 0.93 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1CCNE1CDK2KMT2A
SCHEMBL6959003 0.92 TP53 (0.41) SMN1; SMN2NPSR1KMT2AMEN1MAPT
SCHEMBL6958365 0.91 MAPT (0.38) SMN1; SMN2NPSR1SRCKMT2AHTR2A
SCHEMBL6961241 0.91 HTR2A (0.36) SMN1; SMN2NPSR1KMT2AHTR2AHTR2C
SCHEMBL6958613 0.91 MAPT (0.37) SMN1; SMN2NPSR1KMT2ALMNAMEN1

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