SCHEMBL1651982

SCHEMBL1651982

CN(C)CC(=C=O)c1cccnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.37
EGFR P00533 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL3605168 0.81 FFAR1 (0.34) L3MBTL1ALDH1A1
SCHEMBL5765561 0.79 CTNNB1 (0.34) SMN1; SMN2CYP1A2NPC1
SCHEMBL3411109 0.78 POLB (0.44) LMNAPOLBALDH1A1HPGD
SCHEMBL1555035 0.75 P2RX7 (0.35) CYP2C19ALDH1A1EGFR
SCHEMBL17233523 0.73 CYP2C19 (0.47) LMNASMN1; SMN2POLBL3MBTL1KMT2A
SCHEMBL5663965 0.73 ALDH1A1 (0.46) LMNASMN1; SMN2L3MBTL1KMT2ACYP2C19
SCHEMBL3403141 0.71 PREP (0.43) LMNACYP1A2RXFP1ALDH1A1HPGD
SCHEMBL2201670 0.70 SMN1; SMN2 (0.61) LMNASMN1; SMN2POLBL3MBTL1KMT2A
SCHEMBL1044152 0.70 SMN1; SMN2 (0.56) LMNASMN1; SMN2POLBL3MBTL1KMT2A
SCHEMBL5759364 0.70 TDP1 (0.33) TDP1

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-2011049150-A1 PYRONE COMPOUND AND ITS USE FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed