SCHEMBL9920805

SCHEMBL9920805

O=C1NCC/C(=N\OCc2ccccc2)c2c1oc1ccc(O)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CDK5 Q00535 2/20 0.48
CDK5R1 Q15078 2/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
PRKD2 Q9BZL6 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
WEE1 P30291 1/20 0.37
CCNE2 O96020 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 2/20 0.35

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
SCHEMBL9904109 1.00 PRKD1 (0.48) PRKD1LMNAALDH1A1CDK5CDK5R1
SCHEMBL17384886 0.82 PRKD1 (0.53) PRKD1LMNAALDH1A1CDK5CDK5R1
SCHEMBL9920723 0.80 ALDH1A1 (0.50) PRKD1LMNAALDH1A1CDK5CDK5R1
SCHEMBL9904133 0.80 ALDH1A1 (0.50) PRKD1LMNAALDH1A1CDK5CDK5R1
SCHEMBL9904264 0.75 PRKD1 (0.64) PRKD1LMNAALDH1A1CDK5CDK5R1
SCHEMBL15472031 0.73 PRKD1 (0.61) PRKD1LMNAALDH1A1CDK5CDK5R1
SCHEMBL19696351 0.73 PRKD1 (0.61) PRKD1LMNAALDH1A1CDK5CDK5R1
SCHEMBL17384887 0.71 PRKD1 (0.47) PRKD1LMNAALDH1A1CDK5CDK5R1
SCHEMBL9920687 0.70 PRKD1 (0.84) PRKD1LMNAALDH1A1CDK5CDK5R1
SCHEMBL9920388 0.69 PRKD1 (0.45) PRKD1LMNAALDH1A1CDK5CDK5R1

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
US-9840515-B2 Protein kinase D inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-12 US disclosed
WO-2012078859-A2 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-06-14 WO disclosed