SCHEMBL14733997

SCHEMBL14733997

C=CCC1CC=C(C)C=N1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.40
NOS2 P35228 3/20 0.40
NOS1 P29475 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL12659529 0.65
SCHEMBL14034818 0.63
SCHEMBL18912155 0.60
SCHEMBL6905304 0.59
SCHEMBL6908645 0.58 L3MBTL1 (0.33) NOS3NOS2L3MBTL1SMN1; SMN2
SCHEMBL8817296 0.58
SCHEMBL19122782 0.57
SCHEMBL6911654 0.57 LMNA (0.43) NOS3NOS2NOS1L3MBTL1SMN1; SMN2
SCHEMBL5311294 0.56
SCHEMBL6909848 0.56 L3MBTL1 (0.38) NOS3NOS2L3MBTL1SMN1; SMN2

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-2269993-B1 2-AMINOQUINAZOLINE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2013-02-27 EP disclosed