SCHEMBL6089350

SCHEMBL6089350

CCOC1=NNC(=O)/C1=C/c1ccc(Cl)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDR P35968 1/20 0.31
PDPK1 O15530 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
SCHEMBL6089357 1.00 KMT2A (0.33) KMT2ANPC1POLBMAPTRAB9A
SCHEMBL6088887 0.85 PDPK1 (0.40) KMT2ANPC1POLBMAPTRAB9A
SCHEMBL6088893 0.85 PDPK1 (0.40) KMT2ANPC1POLBMAPTRAB9A
SCHEMBL6088219 0.82 LRRK2 (0.34)
SCHEMBL6088217 0.82 LRRK2 (0.34)
SCHEMBL6091916 0.81 POLB (0.33) KMT2ANPC1POLBMAPTRAB9A
SCHEMBL6091918 0.81 POLB (0.33) KMT2ANPC1POLBMAPTRAB9A
SCHEMBL6092389 0.81
SCHEMBL6090542 0.80 KMT2A (0.33) KMT2ANPC1POLBMAPTRAB9A
SCHEMBL6088652 0.78 KMT2A (0.32) KMT2ANPC1POLBMAPTRAB9A

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