SCHEMBL7928929

SCHEMBL7928929

COc1ccc(-c2cncnc2)c2c1CC1(CC2)COC(NC(=O)O)=N1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33
ABL1 P00519 1/20 0.33
KCNH2 Q12809 1/20 0.33
VNN1 O95497 1/20 0.31
CTSA P10619 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL12203754 0.90 KDM4E (0.35) ERN1AAK1EGFRKDRABL1
SCHEMBL12203763 0.90 KDM4E (0.35) ERN1AAK1EGFRKDRABL1
SCHEMBL7927177 0.88 ERN1 (0.34) ERN1
SCHEMBL7920311 0.88 ERN1 (0.34) ERN1
SCHEMBL12203484 0.84 ERN1 (0.36) ERN1KCNH2
SCHEMBL14134557 0.84 ERN1 (0.36) ERN1KCNH2
SCHEMBL12203448 0.84 ERN1 (0.36) ERN1KCNH2
SCHEMBL7917660 0.83 CYP1A2 (0.41) HDAC1HDAC6
SCHEMBL7924527 0.81 TAAR1 (0.42) ERN1KCNH2
SCHEMBL7932270 0.81 TAAR1 (0.42) ERN1KCNH2

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-2010042473-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS SCHERING CORPORATION (US) 2010-04-15 WO disclosed