SCHEMBL989428

SCHEMBL989428

O=C(Nc1ccccc1Cl)N1CC2=C(CCOc3cc(Br)ccc32)S1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
MAPT P10636 4/20 0.39
HTT P42858 1/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
THRB P10828 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL988430 0.89 LMNA (0.36) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL1516817 0.81 PRMT5 (0.34) MAPTHTTLMNAPRMT5WDR77
SCHEMBL988493 0.79 PRMT5 (0.35) MAPTHTTLMNAPRMT5WDR77
SCHEMBL1516787 0.78 PRMT5 (0.34) MAPTHTTMEN1KMT2ALMNA
SCHEMBL4061855 0.76 LMNA (0.34) MAPTHTTMEN1KMT2ANPC1
SCHEMBL1516834 0.74 PRMT5 (0.34) PRMT5WDR77PIK3CA
SCHEMBL988653 0.74 PPARA (0.38) MAPTHTTPOLBALDH1A1MEN1
SCHEMBL989248 0.74 HDAC3 (0.34) MAPTHTTNPC1LMNARAB9A
SCHEMBL989472 0.73 PIK3CA (0.52) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL988973 0.73 PIK3CA (0.53) PIK3CAPIK3CB

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
EP-2276767-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-01-26 EP disclosed