SCHEMBL28632158

SCHEMBL28632158

CCOC(=O)C(C)Nc1cncnc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.42
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PSMB5 P28074 1/20 0.36
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
NAMPT P43490 1/20 0.34
ACACB O00763 1/20 0.34

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
SCHEMBL7448736 0.80 NAMPT (0.45) ELANECA12CA1CA2CA9
Hydrochloric Acid SCHEMBL7405743 0.79 NAMPT (0.44) ELANECA12CA1CA2CA9
SCHEMBL5508581 0.77 BCAT2 (0.42) CA12CA1CA2CA9KDM4E
SCHEMBL5508575 0.77 BCAT2 (0.42) CA12CA1CA2CA9KDM4E
SCHEMBL655368 0.76 ELANE (0.53) ELANECA12CA1CA2CA9
SCHEMBL8031605 0.76 ELANE (0.53) ELANECA12CA1CA2CA9
SCHEMBL27706473 0.76 HTT (0.46) ELANECA12CA1CA2CA9
SCHEMBL6026706 0.76 ELANE (0.53) ELANECA12CA1CA2CA9
SCHEMBL11584008 0.75 AGTR1 (0.43) ELANEKDM4ELMNAKMT2A
Hydrochloric Acid SCHEMBL1171032 0.75 ELANE (0.52) ELANECA12CA1CA2CA9

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
CN-113348017-A Hydrazide compound and kinase inhibitor 日产化学株式会社 2021-09-03 CN disclosed