SCHEMBL7942395

SCHEMBL7942395

CN(C)CCNC(=O)c1cnc2ccoc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.47
LMNA P02545 2/20 0.47
MAOB P27338 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
USP2 O75604 1/20 0.45
CYP1A2 P05177 1/20 0.44
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TOP2A P11388 1/20 0.42
BRAF P15056 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7945108 0.75 TP53 (0.50) TP53LMNAALDH1A1KDM4EHSD17B10
SCHEMBL21753246 0.73 MAPK1 (0.46) ALDH1A1KDM4EHTT
SCHEMBL27917939 0.73 TAS1R3 (0.39) LMNAKDM4EHDAC6SMN1; SMN2
SCHEMBL2088176 0.72 KMT2A (0.56) LMNAMAOBALDH1A1KDM4EHSD17B10
SCHEMBL31133349 0.72 MGAM (0.50) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL20037664 0.72 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDUSP2HDAC4
SCHEMBL12302076 0.72 KDM4E (0.67) ALDH1A1KDM4EHPGDHDAC1HDAC6
SCHEMBL30046741 0.71 ALDH1A1 (0.73) LMNAALDH1A1KDM4EHSD17B10GLA
SCHEMBL7941919 0.71 TP53 (0.42) TP53LMNAMAOBALDH1A1KDM4E
SCHEMBL21531028 0.70 EPHX2 (0.58) ALDH1A1KDM4EHPGDHDAC4HDAC1

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
WO-2010054278-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2010-05-14 WO disclosed