SCHEMBL2824787

SCHEMBL2824787

COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NCCN2CCCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
APP P05067 3/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.42
SLC29A1 Q99808 1/20 0.42

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
SCHEMBL3334146 0.81 NPSR1 (0.61) MEN1KMT2APOLBHPGDNPSR1
SCHEMBL24270053 0.80 NPSR1 (0.47) SMN1; SMN2HSD17B10MEN1KMT2APOLB
SCHEMBL2822691 0.80 SMN1; SMN2 (0.59) SMN1; SMN2HSD17B10MEN1KMT2APOLB
SCHEMBL8441577 0.80 SMN1; SMN2 (0.59) SMN1; SMN2HSD17B10MEN1KMT2APOLB
SCHEMBL8441019 0.80 SMN1; SMN2 (0.62) SMN1; SMN2HSD17B10MEN1KMT2APOLB
SCHEMBL1814092 0.78 KDM4E (0.44) HSD17B10POLBLMNAALDH1A1KDM4E
SCHEMBL2824882 0.78 HPGD (0.42) HSD17B10MEN1KMT2APOLBLMNA
SCHEMBL2824525 0.75 KMT2A (0.42) HSD17B10MEN1KMT2APOLBALDH1A1
SCHEMBL2279408 0.75 NPC1 (0.40) SMN1; SMN2HSD17B10MEN1KMT2ALMNA
SCHEMBL14573266 0.73 CD274 (0.62) POLBHPGDCYP1A2CYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed