SCHEMBL6090246

SCHEMBL6090246

O=C1NN=C(C2CC2)/C1=C\c1cn(CCCCO)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.42
DHFR P00374 5/20 0.42
MEN1 O00255 7/20 0.42
POLB P06746 2/20 0.42
KDR P35968 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SIRT1 Q96EB6 1/20 0.39
SIRT5 Q9NXA8 1/20 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
SCHEMBL6090249 1.00 KMT2A (0.42) KMT2ADHFRMEN1POLBKDR
SCHEMBL6088422 0.96 KMT2A (0.44) KMT2ADHFRMEN1POLBKDR
SCHEMBL6088427 0.96 KMT2A (0.44) KMT2ADHFRMEN1POLBKDR
SCHEMBL6088814 0.95 KMT2A (0.42) KMT2ADHFRMEN1POLBKDR
SCHEMBL6088818 0.95 KMT2A (0.42) KMT2ADHFRMEN1POLBKDR
SCHEMBL6090516 0.84 KMT2A (0.48) KMT2ADHFRMEN1POLBKDR
SCHEMBL6090511 0.84 KMT2A (0.48) KMT2ADHFRMEN1POLBKDR
SCHEMBL6088412 0.83 KMT2A (0.57) KMT2AMEN1KDRMAPTL3MBTL1
SCHEMBL6088407 0.83 KMT2A (0.57) KMT2AMEN1KDRMAPTL3MBTL1
SCHEMBL6090339 0.81 KMT2A (0.45) KMT2ADHFRMEN1POLBKDR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218373-A2 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP claimed
WO-2001009121-A2 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-02-08 WO claimed
US-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed
EP-1218373-A2 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP disclosed
WO-2001009121-A2 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-02-08 WO disclosed