SCHEMBL6958365

SCHEMBL6958365

CCCCOc1ccc(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
MAPT P10636 4/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FAAH O00519 1/20 0.36
SRC P12931 1/20 0.36
PPARA Q07869 3/20 0.35
PPARG P37231 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
GAK O14976 1/20 0.34
RIPK2 O43353 1/20 0.34
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34
YES1 P07947 1/20 0.34
RET P07949 1/20 0.34
PDGFRB P09619 1/20 0.34
BCR P11274 1/20 0.34

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
SCHEMBL6963151 0.92 HTR2A (0.35) MAPTKMT2ATP53SMN1; SMN2NPSR1
SCHEMBL6957959 0.92 SMN1; SMN2 (0.38) MAPTKMT2ATP53SMN1; SMN2NPSR1
SCHEMBL6961241 0.91 HTR2A (0.36) MAPTKMT2ATP53SMN1; SMN2NPSR1
SCHEMBL6958506 0.91 SMN1; SMN2 (0.39) MAPTKMT2ATP53SMN1; SMN2NPSR1
SCHEMBL6962207 0.90 SMN1; SMN2 (0.38) KMT2ATP53SMN1; SMN2NPSR1SRC
SCHEMBL6961412 0.90 SMN1; SMN2 (0.37) MAPTKMT2ATP53SMN1; SMN2NPSR1
SCHEMBL6957189 0.88 SMN1; SMN2 (0.37) MAPTKMT2ASMN1; SMN2NPSR1PPARA
SCHEMBL6964622 0.88 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1
SCHEMBL6962244 0.88 KMT2A (0.35) MAPTKMT2ATP53SMN1; SMN2NPSR1
SCHEMBL6959003 0.88 TP53 (0.41) MAPTKMT2ATP53SMN1; SMN2NPSR1

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