SCHEMBL6090331

SCHEMBL6090331

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.45
MEN1 O00255 7/20 0.45
POLB P06746 1/20 0.45
DHFR P00374 4/20 0.43
KDR P35968 2/20 0.42
MAPT P10636 1/20 0.42
SIRT1 Q96EB6 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
NTRK1 P04629 1/20 0.40
MAP3K5 Q99683 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 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
SCHEMBL6090339 1.00 KMT2A (0.45) KMT2AMEN1POLBDHFRKDR
SCHEMBL6092288 0.90 KMT2A (0.45) KMT2AMEN1POLBDHFRKDR
SCHEMBL6092285 0.90 KMT2A (0.45) KMT2AMEN1POLBDHFRKDR
SCHEMBL6092457 0.85 GSK3B (0.49) KMT2AMEN1KDRMAPTNTRK1
SCHEMBL6092462 0.85 GSK3B (0.49) KMT2AMEN1KDRMAPTNTRK1
SCHEMBL6090511 0.85 KMT2A (0.48) KMT2AMEN1POLBDHFRKDR
SCHEMBL6090516 0.85 KMT2A (0.48) KMT2AMEN1POLBDHFRKDR
SCHEMBL6090246 0.81 KMT2A (0.42) KMT2AMEN1POLBDHFRKDR
SCHEMBL6092911 0.81 SIRT1 (0.46) KMT2AMEN1POLBDHFRKDR
SCHEMBL6090249 0.81 KMT2A (0.42) KMT2AMEN1POLBDHFRKDR

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