SCHEMBL5592987

SCHEMBL5592987

Cc1ncc(N)cc1CC=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
AOX1 Q06278 1/20 0.35
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
RAF1 P04049 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
SCHEMBL22165795 0.82 NOS3 (0.48) NOS3NOS1NOS2KDM4EKMT2A
SCHEMBL25194211 0.81 DHFR (0.36) NOS3NOS1NOS2
SCHEMBL30402750 0.81 DHFR (0.36) NOS3NOS1NOS2
SCHEMBL21591671 0.79 ALDH1A1 (0.34) KDM4EKMT2AMEN1ALDH1A1LMNA
SCHEMBL25198432 0.74 NOS2 (0.37) NOS3NOS1NOS2KDM4EKMT2A
SCHEMBL5593300 0.74 POLB (0.39) KMT2AMEN1ALDH1A1
SCHEMBL3343795 0.73 KDM4E (0.36) NOS3NOS1NOS2KDM4EKMT2A
SCHEMBL25373535 0.72 UHRF1 (0.48) NOS3NOS1NOS2
SCHEMBL25370487 0.68 NOS2 (0.35) NOS3NOS1NOS2KDM4EKMT2A
SCHEMBL30154986 0.68

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-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed