SCHEMBL1667607

SCHEMBL1667607

COc1ccc(-n2cc(C#N)c3cccnc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
ELANE P08246 10/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
KAT2B Q92831 1/20 0.43
ESRRA P11474 1/20 0.43
ESR2 Q92731 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
SCHEMBL1668131 0.83 ELANE (0.55) ELANEESRRAESR2
SCHEMBL30201783 0.83 ELANE (0.54) ELANE
SCHEMBL1670142 0.83 ELANE (0.44) ALDH1A1MAPTELANEL3MBTL1
SCHEMBL12670691 0.78 RORC (0.57) ELANE
SCHEMBL1078113 0.78 L3MBTL1 (0.53) MAPTL3MBTL1LMNATP53ESRRA
SCHEMBL12670692 0.77 ELANE (0.54) MAPTELANE
SCHEMBL16517760 0.74 PDE4A (0.56) ELANE
SCHEMBL1667649 0.74 L3MBTL1 (0.49) ALDH1A1MAPTELANEL3MBTL1ESRRA
SCHEMBL7170779 0.73 PDE4A (0.60) ALDH1A1MAPTLMNATP53KAT2B
SCHEMBL10095240 0.72 L3MBTL1 (0.53) L3MBTL1ESRRAESR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011042474-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO disclosed
WO-2011042474-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO disclosed