SCHEMBL6092288

SCHEMBL6092288

CC(C)(C)C1=NNC(=O)C1=Cc1cn(CCCCO)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.45
MEN1 O00255 8/20 0.45
POLB P06746 1/20 0.45
KDR P35968 2/20 0.44
DHFR P00374 4/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
NTRK1 P04629 1/20 0.42
MAP3K5 Q99683 1/20 0.42
MAPT P10636 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 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
SCHEMBL6092285 1.00 KMT2A (0.45) KMT2AMEN1POLBKDRDHFR
SCHEMBL6090331 0.90 KMT2A (0.45) KMT2AMEN1POLBKDRDHFR
SCHEMBL6090339 0.90 KMT2A (0.45) KMT2AMEN1POLBKDRDHFR
SCHEMBL6090511 0.87 KMT2A (0.48) KMT2AMEN1POLBKDRDHFR
SCHEMBL6090516 0.87 KMT2A (0.48) KMT2AMEN1POLBKDRDHFR
SCHEMBL6091988 0.84 KMT2A (0.60) KMT2AMEN1KDRCRHBPCRHR2
SCHEMBL6091982 0.84 KMT2A (0.60) KMT2AMEN1KDRCRHBPCRHR2
SCHEMBL6089202 0.82 DHFR (0.43) KMT2AMEN1POLBKDRDHFR
SCHEMBL6089206 0.82 DHFR (0.43) KMT2AMEN1POLBKDRDHFR
SCHEMBL6090246 0.81 KMT2A (0.42) KMT2AMEN1POLBKDRDHFR

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