SCHEMBL6964622

SCHEMBL6964622

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3cc(OC(=O)c4ccc(C(F)(F)F)cc4)ccc3C2C)c1C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SRD5A1 P18405 2/20 0.36
SRD5A2 P31213 2/20 0.36
TRPM8 Q7Z2W7 3/20 0.35
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR1F P30939 1/20 0.34
SCN9A Q15858 3/20 0.34
GALR2 O43603 1/20 0.34
APP P05067 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
SCHEMBL6957189 0.94 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1SRD5A1SRD5A2HTR1A
SCHEMBL6955562 0.93 SRD5A1 (0.37) SRD5A1SRD5A2APP
SCHEMBL6958506 0.93 SMN1; SMN2 (0.39) SMN1; SMN2NPSR1SRD5A1SRD5A2HTR1A
SCHEMBL6962207 0.91 SMN1; SMN2 (0.38) SMN1; SMN2NPSR1HTR1AHTR1DHTR1B
SCHEMBL6961412 0.91 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1SCN9A
SCHEMBL6957959 0.90 SMN1; SMN2 (0.38) SMN1; SMN2NPSR1HTR1AHTR1DHTR1B
SCHEMBL6959003 0.89 TP53 (0.41) SMN1; SMN2NPSR1SRD5A1SRD5A2
SCHEMBL6961033 0.88 SRD5A1 (0.36) SMN1; SMN2SRD5A1SRD5A2APP
SCHEMBL6958365 0.88 MAPT (0.38) SMN1; SMN2NPSR1
SCHEMBL6958613 0.88 MAPT (0.37) SMN1; 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 2 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