SCHEMBL9988640

SCHEMBL9988640

C#Cc1c[c]cc(Oc2cccnc2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
CYP19A1 P11511 5/20 0.51
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FFAR4 Q5NUL3 2/20 0.46
HTT P42858 2/20 0.41
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
GRM5 P41594 2/20 0.38
LTA4H P09960 2/20 0.38

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
SCHEMBL9046506 0.81 LMNA (0.68) LMNATDP1CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL427753 0.78 CYP19A1 (0.70) LMNATDP1CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL9988598 0.77 LMNA (0.56) LMNATDP1CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL4458510 0.77 FFAR4 (0.52) LMNATDP1CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL30535283 0.73 LMNA (0.82) LMNATDP1CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL676142 0.73 LMNA (0.82) LMNATDP1CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL919761 0.73 LMNA (0.58) LMNATDP1CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL2196501 0.72 CYP19A1 (0.71) LMNATDP1CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL12562322 0.72 CYP19A1 (0.71) LMNATDP1CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL4477201 0.71 LMNA (0.56) LMNATDP1CYP19A1ALDH1A1SMN1; 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
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed