SCHEMBL78902

SCHEMBL78902

COCCCc1cc(C(C)(C)C)c(Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 1/20 0.35
REN P00797 3/20 0.33
CYP3A4 P08684 1/20 0.33
TLR8 Q9NR97 1/20 0.32
S1PR4 O95977 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PLAU P00749 1/20 0.31
POLB P06746 2/20 0.30
L3MBTL1 Q9Y468 2/20 0.30

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
SCHEMBL8037049 0.80 SMN1; SMN2 (0.37) LMNAHTTKDM4ESMN1; SMN2HSD17B10
SCHEMBL91265 0.77 REN (0.41) HTTKDM4ESMN1; SMN2HSD17B10REN
SCHEMBL13154804 0.76 REN (0.35) HTTKDM4ESMN1; SMN2HSD17B10REN
SCHEMBL662543 0.75 ALDH1A1 (0.35) HTTKDM4ESMN1; SMN2HSD17B10REN
SCHEMBL665101 0.75 REN (0.36) HTTKDM4ESMN1; SMN2HSD17B10REN
SCHEMBL78610 0.72 LMNA (0.43) LMNAHTTMAPK1KDM4ESMN1; SMN2
SCHEMBL24650223 0.72 HCAR3 (0.43) LMNAHTTMAPK1KDM4ESMN1; SMN2
SCHEMBL9906406 0.70 ALDH1A1 (0.37) LMNAHTTMAPK1KDM4ESMN1; SMN2
SCHEMBL5141564 0.70 REN (0.43) HTTSMN1; SMN2HSD17B10RENCYP3A4
SCHEMBL13895406 0.69 KCNH2 (0.44) LMNAHTTMAPK1KDM4ESMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed