SCHEMBL19216002

SCHEMBL19216002

CC1C=CC2=C(C=C1)C(C)CCC2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.34
NOS1 P29475 3/20 0.34
NOS2 P35228 3/20 0.34
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 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
SCHEMBL6053642 0.73 NOS3 (0.31) NOS3NOS1NOS2CA1CA2
SCHEMBL6053653 0.73 NOS3 (0.38) NOS3NOS1NOS2CA1CA2
SCHEMBL6053849 0.68 HRH2 (0.31) NOS3NOS1NOS2CA1CA2
SCHEMBL9063951 0.66 NOS3 (0.30) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL8159608 0.66 NOS3 (0.30) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL8161889 0.65 NOS3 (0.32) NOS3NOS1NOS2
SCHEMBL9063949 0.65
SCHEMBL4473988 0.64 CA1 (0.30) CA1CA2CA4
Hydrochloric Acid SCHEMBL8161883 0.64
SCHEMBL8161887 0.64

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
EP-3004098-B1 KINASE INHIBITORS CHIESI FARM SPA (IT) 2017-08-09 EP disclosed