SCHEMBL78435

SCHEMBL78435

Cc1cc(F)c(C(C)(C)C)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
RAPGEF4 Q8WZA2 2/20 0.34
HTT P42858 1/20 0.34
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CA2 P00918 1/20 0.33
TYR P14679 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APEX1 P27695 1/20 0.32
PDK2 Q15119 1/20 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
SCHEMBL78162 0.85 L3MBTL1 (0.39) L3MBTL1RAPGEF4HTTPOLBALDH1A1
SCHEMBL22454710 0.84 RAPGEF4 (0.34) L3MBTL1RAPGEF4HTTPDK2
SCHEMBL10256479 0.83 ALDH1A1 (0.40) RAPGEF4POLBALDH1A1CA2TYR
SCHEMBL91357 0.82 L3MBTL1 (0.34) L3MBTL1RAPGEF4HTT
SCHEMBL14130876 0.82 RIPK1 (0.32) POLBAPEX1
SCHEMBL12597845 0.79 L3MBTL1 (0.43) L3MBTL1RAPGEF4HTTPOLBALDH1A1
SCHEMBL21718397 0.78 CYP3A4 (0.41) POLBALDH1A1CA2APEX1
SCHEMBL21718952 0.77 NR1H4 (0.37)
SCHEMBL18957772 0.76 RAPGEF4 (0.39) L3MBTL1RAPGEF4POLBALDH1A1CA2
SCHEMBL21718954 0.75 NR1H4 (0.37) RAPGEF4HTTPOLBALDH1A1SMN1; 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