SCHEMBL7997381

SCHEMBL7997381

CC(C)OC(=O)Oc1ccc(Cl)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 2/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL7963225 0.89 CA12 (0.38) KMT2AMEN1CA12CA1CA2
SCHEMBL7983380 0.84 KMT2A (0.45) KMT2ALMNAHPGDMEN1SMN1; SMN2
SCHEMBL7994150 0.77 KMT2A (0.42) KMT2ALMNAHPGDMEN1SMN1; SMN2
SCHEMBL4039966 0.74 LMNA (0.41) KMT2ALMNAMEN1HTTSMN1; SMN2
SCHEMBL6968314 0.74 LMNA (0.45) KMT2ALMNAMEN1HTTSMN1; SMN2
SCHEMBL15881082 0.73 ALDH1A1 (0.41) KMT2ALMNAMEN1HTTSMN1; SMN2
SCHEMBL1295778 0.72 ALDH1A1 (0.39) KMT2ALMNACHRNB2CHRNA4
SCHEMBL21991449 0.68 KMT2A (0.50) KMT2ALMNAHPGDMEN1HTT
SCHEMBL29862129 0.67
SCHEMBL321951 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001007416-A1 METHOD OF PRODUCING PYRIDAZINE CARBOXYLIC ACID DERIVATIVES LONZA AG (CH) 2001-02-01 WO disclosed