SCHEMBL11526422

SCHEMBL11526422

CCCCn1cc(C(=O)OCC)c(=O)c2ccc(/N=N/N(C)C)cc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.44
CNR1 P21554 6/20 0.44
CNR2 P34972 9/20 0.42
P2RX3 P56373 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.39

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
SCHEMBL11526427 1.00 NPC1 (0.46) NPC1MAPTRAB9ALMNACNR1
SCHEMBL11530704 0.97 CNR1 (0.48) NPC1MAPTRAB9ALMNACNR1
SCHEMBL11530698 0.97 CNR1 (0.48) NPC1MAPTRAB9ALMNACNR1
SCHEMBL11528380 0.96 CNR1 (0.47) NPC1MAPTRAB9ALMNACNR1
SCHEMBL11528376 0.96 CNR1 (0.47) NPC1MAPTRAB9ALMNACNR1
SCHEMBL11527601 0.94 MAPT (0.48) NPC1MAPTRAB9ALMNACNR1
SCHEMBL11527596 0.94 MAPT (0.48) NPC1MAPTRAB9ALMNACNR1
SCHEMBL11527664 0.90 LMNA (0.55) NPC1MAPTRAB9ALMNAP2RX3
SCHEMBL11527665 0.90 LMNA (0.55) NPC1MAPTRAB9ALMNAP2RX3
SCHEMBL11530687 0.88 CNR2 (0.47) LMNACNR1CNR2

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