SCHEMBL6090516

SCHEMBL6090516

CC1=NNC(=O)C1=Cc1cn(CCCCO)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.48
MEN1 O00255 7/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
S1PR4 O95977 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
S1PR1 P21453 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.47
KDR P35968 2/20 0.46
DHFR P00374 3/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.45
NTSR1 P30989 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45

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
SCHEMBL6090511 1.00 KMT2A (0.48) KMT2AMEN1SMN1; SMN2NPSR1S1PR4
SCHEMBL6092288 0.87 KMT2A (0.45) KMT2AMEN1POLBKDRDHFR
SCHEMBL6092285 0.87 KMT2A (0.45) KMT2AMEN1POLBKDRDHFR
SCHEMBL6090331 0.85 KMT2A (0.45) KMT2AMEN1POLBKDRDHFR
SCHEMBL6090339 0.85 KMT2A (0.45) KMT2AMEN1POLBKDRDHFR
SCHEMBL6089202 0.84 DHFR (0.43) KMT2AMEN1POLBKDRDHFR
SCHEMBL6089206 0.84 DHFR (0.43) KMT2AMEN1POLBKDRDHFR
SCHEMBL6090246 0.84 KMT2A (0.42) KMT2AMEN1SMN1; SMN2NPSR1L3MBTL1
SCHEMBL6092911 0.84 SIRT1 (0.46) KMT2AMEN1SMN1; SMN2POLBKDR
SCHEMBL6090249 0.84 KMT2A (0.42) KMT2AMEN1SMN1; SMN2NPSR1L3MBTL1

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