SCHEMBL11527596

SCHEMBL11527596

CCCn1cc(C(=O)OCC)c(=O)c2ccc(/N=N/N(C)C)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.46
KMT2A Q03164 3/20 0.44
P2RX3 P56373 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.42
PKM P14618 1/20 0.40
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PIM1 P11309 1/20 0.39
IRAK1 P51617 1/20 0.39
CAMK2B Q13554 1/20 0.39
CAMK2G Q13555 1/20 0.39
CAMK2D Q13557 1/20 0.39
PIM3 Q86V86 1/20 0.39
CNR1 P21554 2/20 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
SCHEMBL11527601 1.00 MAPT (0.48) MAPTRAB9ANPC1LMNAKMT2A
SCHEMBL11526422 0.94 NPC1 (0.46) MAPTRAB9ANPC1LMNAKMT2A
SCHEMBL11526427 0.94 NPC1 (0.46) MAPTRAB9ANPC1LMNAKMT2A
SCHEMBL11530698 0.93 CNR1 (0.48) MAPTRAB9ANPC1LMNAKMT2A
SCHEMBL11530704 0.93 CNR1 (0.48) MAPTRAB9ANPC1LMNAKMT2A
SCHEMBL11528376 0.92 CNR1 (0.47) MAPTRAB9ANPC1LMNAKMT2A
SCHEMBL11528380 0.92 CNR1 (0.47) MAPTRAB9ANPC1LMNAKMT2A
SCHEMBL11527665 0.92 LMNA (0.55) MAPTRAB9ANPC1LMNAKMT2A
SCHEMBL11527664 0.92 LMNA (0.55) MAPTRAB9ANPC1LMNAKMT2A
SCHEMBL11527704 0.91 LMNA (0.45) MAPTRAB9ANPC1LMNAKMT2A

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