SCHEMBL9847539

SCHEMBL9847539

COCCOCCc1ccnc(-c2ccccn2)c1CCOCCOC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
CYP1A2 P05177 2/20 0.34
NPC1 O15118 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MCL1 Q07820 3/20 0.34
MYC P01106 1/20 0.34
LMNA P02545 3/20 0.33
POLB P06746 2/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
METAP1 P53582 1/20 0.33
BLM P54132 1/20 0.33
HIF1A Q16665 1/20 0.33
DOHH Q9BU89 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
SMO Q99835 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
SCHEMBL16081692 0.77 KDM4E (0.42) KDM4ECYP1A2NPC1CYP2D6CYP19A1
SCHEMBL9847537 0.77 MYC (0.47) KDM4ENPC1MYCPOLBSMN1; SMN2
SCHEMBL29883487 0.76 KDM4E (0.41) KDM4ECYP1A2NPC1CYP2D6CYP19A1
SCHEMBL8501158 0.75 KDM4E (0.42) KDM4ECYP1A2NPC1CYP2D6CYP19A1
SCHEMBL8896957 0.75 ATM (0.37) KDM4ECYP1A2NPC1CYP2D6CYP19A1
SCHEMBL3641432 0.73 CYP1A2 (0.44) KDM4ECYP1A2NPC1CYP2D6CYP19A1
SCHEMBL28515301 0.71 CYP1A2 (0.42) KDM4ECYP1A2NPC1CYP2D6CYP19A1
SCHEMBL454461 0.71 CYP1A2 (0.42) KDM4ECYP1A2NPC1CYP2D6CYP19A1
SCHEMBL29278701 0.71 CYP1A2 (0.42) KDM4ECYP1A2NPC1CYP2D6CYP19A1
SCHEMBL27396593 0.71 CYP1A2 (0.42) KDM4ECYP1A2NPC1CYP2D6CYP19A1

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
EP-0411935-A2 Copper radio sensitizers JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1991-02-06 EP disclosed