SCHEMBL6089984

SCHEMBL6089984

CC(C)OC1=NNC(=O)C1=Cc1cccn1CCCCO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.35
MEN1 O00255 8/20 0.35
KMT2A Q03164 8/20 0.35
RECQL P46063 7/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
RAB9A P51151 3/20 0.35
HTT P42858 4/20 0.34
NPSR1 Q6W5P4 2/20 0.34
NPC1 O15118 2/20 0.34
THRB P10828 1/20 0.34
KDR P35968 1/20 0.32
CYP1A2 P05177 1/20 0.32
PKM P14618 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL6089981 1.00 MAPT (0.35) MAPTMEN1KMT2ARECQLSMN1; SMN2
SCHEMBL6088988 0.81 KDR (0.49) MAPTMEN1KMT2ARECQLSMN1; SMN2
SCHEMBL6088995 0.81 KDR (0.49) MAPTMEN1KMT2ARECQLSMN1; SMN2
SCHEMBL6089202 0.79 DHFR (0.43) MAPTMEN1KMT2AKDRPOLB
SCHEMBL6089206 0.79 DHFR (0.43) MAPTMEN1KMT2AKDRPOLB
SCHEMBL6089319 0.77 MAPT (0.32) MAPTMEN1KMT2ARECQLSMN1; SMN2
SCHEMBL6089323 0.77 MAPT (0.32) MAPTMEN1KMT2ARECQLSMN1; SMN2
SCHEMBL7489008 0.70 KDM4E (0.34) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL6088059 0.70 ABCC2 (0.38) MEN1KMT2ARAB9ANPC1
SCHEMBL6088063 0.70 ABCC2 (0.38) MEN1KMT2ARAB9ANPC1

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-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed