SCHEMBL14775706

SCHEMBL14775706

O=C1NC(=O)c2c1ccc(Cl)c2C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
PPOX P50336 1/20 0.40
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 3/20 0.36
MAPT P10636 1/20 0.35
CASP3 P42574 1/20 0.35
CEL P19835 1/20 0.34
POLB P06746 1/20 0.34
CES1 P23141 1/20 0.33
CSF1R P07333 1/20 0.33
ARF6 P62330 1/20 0.33
PKM P14618 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAPK10 P53779 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL28688565 0.83 PARP1 (0.45) PARP1MAOAMAOBPPOXKDM4E
SCHEMBL2662415 0.72 MAOA (0.43) PARP1MAOAMAOBKDM4EALDH1A1
SCHEMBL2653820 0.71 KDM4E (0.42) PARP1MAOAMAOBKDM4EALDH1A1
SCHEMBL454553 0.70 PPOX (0.52) PARP1MAOAMAOBPPOXKDM4E
SCHEMBL3949015 0.69 PARP1 (0.35) PARP1MAOAMAOBKDM4EALDH1A1
SCHEMBL2653647 0.69 CYP3A4 (0.42) PARP1MAOAMAOBALDH1A1HPGD
SCHEMBL28641724 0.69 CES1 (0.50) PARP1MAOAMAOBPPOXKDM4E
SCHEMBL6154703 0.67 CES1 (0.55) PARP1MAOAMAOBPPOXKDM4E
SCHEMBL9450352 0.67 PPOX (0.48) PARP1MAOAMAOBPPOXALDH1A1
SCHEMBL28688078 0.67 PPOX (0.48) PARP1MAOAMAOBPPOXKDM4E

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
EP-2233512-B1 POLYTHIOETHERIMIDES AND METHOD FOR PRODUCING THEREOF NINGBO INST MATERIALS TECHNOLOGY & ENG CAS (CN) 2013-03-20 EP claimed