SCHEMBL5100706

SCHEMBL5100706

COc1ccc(Cc2cc(-c3ccncc3)n[nH]2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CYP17A1 P05093 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
RAB9A P51151 1/20 0.40
MAPT P10636 2/20 0.40
COMT P21964 1/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE5A O76074 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
DYRK1A Q13627 2/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
PDE4D Q08499 2/20 0.37

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
SCHEMBL5156205 0.89 KDM4E (0.49) CYP11B1CYP11B2CYP17A1KMT2AMEN1
SCHEMBL5139444 0.86 CYP11B1 (0.46) CYP11B1CYP11B2CYP17A1KMT2AMEN1
SCHEMBL5109650 0.85 MAPK1 (0.48) CYP11B1CYP11B2CYP17A1KMT2AMEN1
SCHEMBL5153636 0.84 LMNA (0.48) CYP11B1CYP11B2KMT2AMEN1COMT
SCHEMBL5103940 0.83 CYP17A1 (0.48) CYP11B1CYP11B2CYP17A1KMT2ACOMT
SCHEMBL5096786 0.81 COMT (0.58) CYP11B1CYP11B2CYP17A1KMT2AMEN1
SCHEMBL5111022 0.78 FGFR1 (0.49) CYP11B1CYP11B2CYP17A1KMT2AMEN1
SCHEMBL5110846 0.77 TACR3 (0.43) CYP11B1CYP11B2CYP17A1RAB9AMAPT
SCHEMBL5104043 0.77 GSK3A (0.46) CYP17A1KMT2AMEN1RAB9AMAPT
SCHEMBL14311768 0.76 CYP11B1 (0.57) CYP11B1CYP11B2RAB9AMAPTCOMT

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
WO-2008004100-A2 THERAPEUTIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 WO disclosed