SCHEMBL6204238

SCHEMBL6204238

CCN(CCN(C)C)c1ccc([N+](=O)[O-])c(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 7/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
VCAM1 P19320 1/20 0.38
CYP19A1 P11511 1/20 0.38
ALDH3A1 P30838 1/20 0.37
MAPK1 P28482 3/20 0.37
CYP3A4 P08684 2/20 0.37
GRIA1 P42261 2/20 0.37
GRIA2 P42262 2/20 0.37
GRIA3 P42263 2/20 0.37
GRIA4 P48058 2/20 0.37
GRM6 O15303 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.37
HCAR3 P49019 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL3055631 0.88 MAPT (0.50) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL3049771 0.85 TDP1 (0.46) SMN1; SMN2MAPTVCAM1CYP19A1ALDH3A1
SCHEMBL5278989 0.85 SMN1; SMN2 (0.44) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL3050952 0.83 MAPT (0.46) SMN1; SMN2MAPTVCAM1CYP19A1ALDH3A1
SCHEMBL3050970 0.81 MEN1 (0.45) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL3045411 0.81 MAPT (0.44) SMN1; SMN2MAPTVCAM1CYP19A1ALDH3A1
SCHEMBL5692532 0.81 PGR (0.43) MAPTKDM4EMEN1KMT2AVCAM1
SCHEMBL10602642 0.80 MAPT (0.60) SMN1; SMN2MAPTVCAM1MAPK1CYP3A4
SCHEMBL3053986 0.78 MAPT (0.50) MAPTKDM4EMEN1KMT2AVCAM1
SCHEMBL3058223 0.78 TDP1 (0.40) SMN1; SMN2MAPTVCAM1CYP19A1ALDH3A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507776-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS Amgen Inc. (US) 2005-02-23 EP disclosed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 WO disclosed