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SCHEMBL6089206

SCHEMBL6089206

CC(C)OC1=NNC(=O)C1=Cc1cn(CCCCO)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 4/20 0.43
▸ KMT2A Q03164 10/20 0.43
▸ MEN1 O00255 9/20 0.43
▸ POLB P06746 1/20 0.43
▸ KDR P35968 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CRHBP P24387 2/20 0.40
▸ CRHR2 Q13324 2/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ MAP3K5 Q99683 1/20 0.40

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
SCHEMBL6089202 1.00 DHFR (0.43) DHFRKMT2AMEN1POLBKDR
SCHEMBL6091613 0.85 KMT2A (0.56) KMT2AMEN1KDRMAPTCRHBP
SCHEMBL6091615 0.85 KMT2A (0.56) KMT2AMEN1KDRMAPTCRHBP
SCHEMBL6090516 0.84 KMT2A (0.48) DHFRKMT2AMEN1POLBKDR
SCHEMBL6090511 0.84 KMT2A (0.48) DHFRKMT2AMEN1POLBKDR
SCHEMBL6090824 0.82 KDR (0.44) DHFRKMT2AMEN1POLBKDR
SCHEMBL6092285 0.82 KMT2A (0.45) DHFRKMT2AMEN1POLBKDR
SCHEMBL6092288 0.82 KMT2A (0.45) DHFRKMT2AMEN1POLBKDR
SCHEMBL6091217 0.80 MEN1 (0.54) KMT2AMEN1POLBKDRMAPT
SCHEMBL6091215 0.80 MEN1 (0.54) KMT2AMEN1POLBKDRMAPT

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