SCHEMBL6090637

SCHEMBL6090637

COc1ccc(CC2=NNC(=O)/C2=C/c2cn(CCCCO)c3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.45
KMT2A Q03164 10/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
USP2 O75604 1/20 0.44
SYK P43405 1/20 0.43
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 1/20 0.40
KDR P35968 2/20 0.40
MAPK14 Q16539 1/20 0.39
BCHE P06276 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
SCHEMBL6090641 1.00 MEN1 (0.45) MEN1KMT2ACRHBPCRHR2POLB
SCHEMBL6092908 0.90 SIRT1 (0.46) MEN1KMT2APOLBMAPTNPC1
SCHEMBL6092911 0.90 SIRT1 (0.46) MEN1KMT2APOLBMAPTNPC1
SCHEMBL6090831 0.82 MAPK14 (0.49) MEN1KMT2APOLBKDRMAPK14
SCHEMBL6090511 0.80 KMT2A (0.48) MEN1KMT2ACRHBPCRHR2POLB
SCHEMBL6090516 0.80 KMT2A (0.48) MEN1KMT2ACRHBPCRHR2POLB
SCHEMBL6092285 0.78 KMT2A (0.45) MEN1KMT2ACRHBPCRHR2POLB
SCHEMBL6092288 0.78 KMT2A (0.45) MEN1KMT2ACRHBPCRHR2POLB
SCHEMBL6090619 0.78 GSK3B (0.44) MEN1KMT2AMAPTSYKCNR2
SCHEMBL6090622 0.78 GSK3B (0.44) MEN1KMT2AMAPTSYKCNR2

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