SCHEMBL7517009

SCHEMBL7517009

CC1(C)CC(c2ccc(N)cc2)c2cc(N)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.41
DRD1 P21728 2/20 0.40
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
IGF1R P08069 1/20 0.35
MET P08581 1/20 0.35
PDGFRB P09619 1/20 0.35

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
SCHEMBL7521370 0.87 CYP19A1 (0.38) CYP19A1DRD1DDB1CRBNCYP11B2
SCHEMBL29859799 0.77 CA12 (0.41) DRD1CHEK1AURKADAPK3JAK2
SCHEMBL23501557 0.77 CA12 (0.41) DRD1CHEK1AURKADAPK3JAK2
SCHEMBL6562362 0.76 PGR (0.41) DRD1CHEK1AURKADAPK3JAK2
SCHEMBL28852598 0.74 HTR2A (0.46) DRD1CHEK1AURKADAPK3JAK2
SCHEMBL28576984 0.74 DDB1 (0.42) DRD1DDB1CRBNCHEK1AURKA
SCHEMBL6599318 0.72 SLC6A2 (0.52) CYP19A1
SCHEMBL17276340 0.68 SIGMAR1 (0.37) DRD1
SCHEMBL17276113 0.68 SIGMAR1 (0.37) DRD1DRD2
Methylamine SCHEMBL27503460 0.68 DRD1 (0.51) CYP19A1DRD1DDB1CRBNCHEK1

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-0475042-B1 Thermosetting compound and its production method KANEGAFUCHI CHEMICAL IND (JP) 2002-02-06 EP disclosed
EP-0475042-A2 Thermosetting compound and its production method KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-03-18 EP disclosed