SCHEMBL6089319

SCHEMBL6089319

O=C1NN=C(C2CC2)/C1=C/c1cccn1CCCCO

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
RECQL P46063 2/20 0.32
HTT P42858 1/20 0.32
KDR P35968 1/20 0.31
RAB9A P51151 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPC1 O15118 1/20 0.30
TK1 P04183 1/20 0.30

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
SCHEMBL6089323 1.00 MAPT (0.32) MAPTRECQLHTTKDRRAB9A
SCHEMBL6090249 0.79 KMT2A (0.42) MAPTKDRMEN1KMT2ASMN1; SMN2
SCHEMBL6090246 0.79 KMT2A (0.42) MAPTKDRMEN1KMT2ASMN1; SMN2
SCHEMBL6089984 0.77 MAPT (0.35) MAPTRECQLHTTKDRRAB9A
SCHEMBL6089981 0.77 MAPT (0.35) MAPTRECQLHTTKDRRAB9A
SCHEMBL6088422 0.75 KMT2A (0.44) MAPTKDRMEN1KMT2ASMN1; SMN2
SCHEMBL6088427 0.75 KMT2A (0.44) MAPTKDRMEN1KMT2ASMN1; SMN2
SCHEMBL6088818 0.74 KMT2A (0.42) MAPTKDRMEN1KMT2ASMN1; SMN2
SCHEMBL6088814 0.74 KMT2A (0.42) MAPTKDRMEN1KMT2ASMN1; SMN2
SCHEMBL7493200 0.69 KDM4E (0.35) MEN1KMT2A

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