SCHEMBL27444535

SCHEMBL27444535

CO[N+](C)(OC)OCc1cnc2c(OC(C)=O)cccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.43
HPGDS O60760 2/20 0.40
PARP1 P09874 1/20 0.39
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
ACHE P22303 1/20 0.36
PTPN1 P18031 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 4/20 0.35
GAA P10253 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL7597610 0.82 PARP1 (0.43) PDE10AHPGDSPARP1KMT2AMEN1
Bromide SCHEMBL7460540 0.81 PARP1 (0.42) PDE10AHPGDSPARP1KMT2AMEN1
SCHEMBL7594203 0.79 PARP1 (0.45) PDE10AHPGDSPARP1KMT2AMEN1
Trimethylammonium SCHEMBL7594552 0.76 PARP1 (0.42) PDE10AHPGDSPARP1KMT2AMEN1
Jineol Acetate SCHEMBL8608939 0.73 ALDH1A1 (0.51) PDE10AHPGDSKMT2AMEN1ALDH1A1
SCHEMBL7466188 0.73 PARP1 (0.56) PDE10AHPGDSPARP1KMT2AACHE
SCHEMBL8811070 0.69 HPGDS (0.56) PDE10AHPGDSPARP1KMT2AMEN1
SCHEMBL8611942 0.69 HPGDS (0.58) PDE10AHPGDSPARP1KMT2AMEN1
SCHEMBL250301 0.67 LMNA (0.65) KMT2AMEN1USP2ALDH1A1LMNA
SCHEMBL28012242 0.67 KDM4E (0.44) PDE10AHPGDSKMT2AMEN1ACHE

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
CN-1130344-C Substituted quinoline herbicide intermediates and process AMERICAN CYANAMID CO (US) 2003-12-10 CN disclosed
CN-1138034-A Substituted quinoline herbicide intermediates and process AMERICAN CYANAMID CO (US) 1996-12-18 CN disclosed