SCHEMBL21210055

SCHEMBL21210055

CC(OCCN)c1cn[nH]c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.36
AKT2 P31751 5/20 0.34
KCNH2 Q12809 1/20 0.33
LMNA P02545 1/20 0.32
APEX1 P27695 1/20 0.32
PMP22 Q01453 1/20 0.32
AKT1 P31749 1/20 0.32

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
SCHEMBL22057992 0.79 KCNH2 (0.37) NOS2AKT2KCNH2LMNAAPEX1
SCHEMBL19602949 0.74 NOS2 (0.38) NOS2AKT2KCNH2LMNAAPEX1
SCHEMBL20334165 0.73
SCHEMBL6344963 0.72
SCHEMBL84454 0.69
SCHEMBL10864351 0.68 AKT1 (0.44) NOS2AKT2KCNH2AKT1
Hydrochloric Acid SCHEMBL20897673 0.68
SCHEMBL23031949 0.66 KCNH2 (0.42) NOS2AKT2KCNH2LMNAAPEX1
SCHEMBL18291459 0.66 KCNH2 (0.42) NOS2AKT2KCNH2LMNAAPEX1
SCHEMBL24868068 0.66

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-2019148132-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 WO disclosed