SCHEMBL16441978

SCHEMBL16441978

CCc1ccc(-n2ccnc2)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.57
CYP11B1 P15538 2/20 0.57
CYP11B2 P19099 2/20 0.57
AAK1 Q2M2I8 1/20 0.49
CGAS Q8N884 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C19 P33261 3/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43

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
SCHEMBL16158535 0.81 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2AAK1CGAS
SCHEMBL28004650 0.80 CYP19A1 (0.66) CYP19A1CYP11B1CYP11B2AAK1CGAS
SCHEMBL9290092 0.80 CYP11B1 (0.61) CYP19A1CYP11B1CYP11B2AAK1CGAS
SCHEMBL11084791 0.80 TP53 (0.44) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL6127820 0.79 CYP11B1 (0.53) CYP19A1CYP11B1CYP11B2AAK1CGAS
SCHEMBL4849093 0.79 CYP11B1 (0.60) CYP19A1CYP11B1CYP11B2AAK1CGAS
SCHEMBL27159848 0.79 CYP11B1 (0.60) CYP19A1CYP11B1CYP11B2AAK1CGAS
SCHEMBL1037506 0.79 CYP11B1 (0.60) CYP19A1CYP11B1CYP11B2AAK1CGAS
SCHEMBL16437249 0.77 CYP11B1 (0.57) CYP19A1CYP11B1CYP11B2AAK1CGAS
SCHEMBL8738604 0.77 CYP19A1 (0.57) CYP19A1CYP11B1CYP11B2AAK1CGAS

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-2015017610-A1 SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2015-02-05 WO disclosed