SCHEMBL1570148

SCHEMBL1570148

COC(=O)N1CCC(C2=C[CH]CC=C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.40
BRDT Q58F21 1/20 0.40
PDE4B Q07343 3/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PDE10A Q9Y233 1/20 0.34
EPHX1 P07099 1/20 0.34
CYP3A4 P08684 3/20 0.33
CYP2C19 P33261 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL693679 0.85 MAPT (0.50) L3MBTL1MAPTKMT2AALDH1A1EPHX1
SCHEMBL5758766 0.77 BRD4 (0.40) BRD4BRDTPDE4BPDE4APDE4C
SCHEMBL19054933 0.71 QDPR (0.42) BRD4MAPTALDH1A1PDE10AEPHX1
SCHEMBL31073550 0.68 KCNH2 (0.56) BRD4L3MBTL1KMT2AALDH1A1CYP3A4
SCHEMBL18481125 0.68 QDPR (0.45) BRD4KMT2AALDH1A1PDE10AEPHX1
SCHEMBL23865987 0.67 CYP3A4 (0.51) BRD4BRDTALDH1A1PDE10ACYP3A4
SCHEMBL3312519 0.67 PDE4B (0.45) BRD4BRDTPDE4BPDE4APDE4C
SCHEMBL16799143 0.66 PDE4B (0.47) BRD4BRDTPDE4BPDE4APDE4C
SCHEMBL7745919 0.66 FAAH (0.55) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL20993453 0.65 EPHX1 (0.45) BRD4BRDTL3MBTL1MAPTEPHX1

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-2307385-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES Novartis AG (CH) 2011-04-13 EP disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 WO disclosed