SCHEMBL6670189

SCHEMBL6670189

N#Cc1ccccc1NCC1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
TSHR P16473 2/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PRKCQ Q04759 3/20 0.42
CSNK2A1 P68400 1/20 0.42
KMT2A Q03164 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
CHUK O15111 1/20 0.40
GAA P10253 2/20 0.40
UTS2R Q9UKP6 1/20 0.39
CYP2D6 P10635 1/20 0.38
OPRK1 P41145 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
NSD2 O96028 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38

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
SCHEMBL23852691 0.80 KDM4E (0.49) KDM4ETSHRHPGDHSD17B10KMT2A
SCHEMBL5414519 0.80 JAK2 (0.54) PRKCQUTS2RJAK2JAK1NSD2
SCHEMBL7554920 0.78 KDM4E (0.54) KDM4ETSHRHPGDHSD17B10KMT2A
SCHEMBL30804592 0.74 KDM4E (0.55) KDM4ETSHRHPGDHSD17B10KMT2A
SCHEMBL395135 0.74 KDM4E (0.55) KDM4ETSHRHPGDHSD17B10KMT2A
SCHEMBL30804597 0.74 KDM4E (0.55) KDM4ETSHRHPGDHSD17B10KMT2A
SCHEMBL25867667 0.73 JAK2 (0.38) PRKCQCHUKJAK2JAK1
SCHEMBL15486368 0.73 KDM4E (0.61) KDM4ETSHRHPGDHSD17B10KMT2A
SCHEMBL6206235 0.73 TSHR (0.61) KDM4ETSHRHPGDHSD17B10KMT2A
SCHEMBL20587134 0.72 LIPC (0.47) KDM4EHPGDGAA

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-1390350-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-02-25 EP disclosed
WO-2002085866-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2002-10-31 WO disclosed