SCHEMBL11530704

SCHEMBL11530704

CCCCCn1cc(C(=O)OCC)c(=O)c2ccc(N=NN(C)C)cc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.48
CNR2 P34972 12/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.44
P2RX3 P56373 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL11530698 1.00 CNR1 (0.48) CNR1CNR2NPC1MAPTRAB9A
SCHEMBL11528376 0.99 CNR1 (0.47) CNR1CNR2NPC1MAPTRAB9A
SCHEMBL11528380 0.99 CNR1 (0.47) CNR1CNR2NPC1MAPTRAB9A
SCHEMBL11526422 0.97 NPC1 (0.46) CNR1CNR2NPC1MAPTRAB9A
SCHEMBL11526427 0.97 NPC1 (0.46) CNR1CNR2NPC1MAPTRAB9A
SCHEMBL11527596 0.93 MAPT (0.48) CNR1CNR2NPC1MAPTRAB9A
SCHEMBL11527601 0.93 MAPT (0.48) CNR1CNR2NPC1MAPTRAB9A
SCHEMBL11527664 0.89 LMNA (0.55) NPC1MAPTRAB9ALMNAP2RX3
SCHEMBL11527665 0.89 LMNA (0.55) NPC1MAPTRAB9ALMNAP2RX3
SCHEMBL11531743 0.88 CNR2 (0.51) CNR1CNR2

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
US-4137227-A BACTERICIDES STERLING DRUG INC. (US) 1979-01-30 US disclosed