SCHEMBL8027740

SCHEMBL8027740

CCOc1n[c]nc(NC)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.37
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
NPSR1 Q6W5P4 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 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
SCHEMBL5936054 0.81 MEN1 (0.39) MEN1KMT2ACYP1A2POLBPDE4B
SCHEMBL3544638 0.78 SMN1; SMN2 (0.38) CYP1A2POLBSMN1; SMN2LMNA
SCHEMBL9844294 0.77 MEN1 (0.55) MEN1KMT2ACYP1A2POLBPDE4B
SCHEMBL6293233 0.74 MEN1 (0.34) MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL9481789 0.74 PDE4B (0.39) MEN1KMT2ACYP1A2POLBPDE4B
SCHEMBL8168218 0.72 POLB (0.35) MEN1KMT2ACYP1A2POLBSMN1; SMN2
SCHEMBL8029159 0.71 MEN1 (0.44) MEN1KMT2ACYP1A2POLBPDE4B
SCHEMBL10672222 0.71 MEN1 (0.48) MEN1KMT2ACYP1A2POLBPDE4B
SCHEMBL9529831 0.69 POLB (0.47) MEN1KMT2ACYP1A2POLBPDE4B
SCHEMBL1577386 0.69 MEN1 (0.47) MEN1KMT2ACYP1A2POLBPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6150301-A Chemical abscission of fruits at low application rates WILCOX MERRILL (US) 2000-11-21 US claimed
WO-1997040681-A1 CHEMICAL ABSCISSION OF FRUITS AT LOW APPLICATION RATES WILCOX MERRILL (US) 1997-11-06 WO claimed
US-6150301-A Chemical abscission of fruits at low application rates WILCOX MERRILL (US) 2000-11-21 US disclosed
WO-1997040681-A1 CHEMICAL ABSCISSION OF FRUITS AT LOW APPLICATION RATES WILCOX MERRILL (US) 1997-11-06 WO disclosed