SCHEMBL7594203

SCHEMBL7594203

CC(=O)Oc1cccc2cc(CBr)cnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
PDE10A Q9Y233 2/20 0.43
HPGDS O60760 2/20 0.43
USP2 O75604 1/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTPN1 P18031 1/20 0.38
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38

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
Trimethylammonium SCHEMBL7594552 0.96 PARP1 (0.42) PARP1PDE10AHPGDSUSP2KDM4E
SCHEMBL7597610 0.84 PARP1 (0.43) PARP1PDE10AHPGDSUSP2KDM4E
Bromide SCHEMBL7460540 0.83 PARP1 (0.42) PARP1PDE10AHPGDSUSP2KDM4E
Jineol Acetate SCHEMBL8608939 0.80 ALDH1A1 (0.51) PDE10AHPGDSKDM4EKMT2APOLB
SCHEMBL7466188 0.80 PARP1 (0.56) PARP1PDE10AHPGDSUSP2KDM4E
SCHEMBL27444535 0.79 PDE10A (0.43) PARP1PDE10AHPGDSUSP2KDM4E
SCHEMBL21044049 0.74 PDE10A (0.52) PARP1PDE10AKDM4EKMT2APOLB
SCHEMBL250301 0.73 LMNA (0.65) USP2KDM4EKMT2APOLBGAA
SCHEMBL28012242 0.73 KDM4E (0.44) PDE10AHPGDSUSP2KDM4EKMT2A
SCHEMBL8611942 0.72 HPGDS (0.58) PARP1PDE10AHPGDSKDM4EKMT2A

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
EP-0747362-B1 Substituted quinoline herbicide intermediates and process BASF AG (DE) 2002-10-30 EP claimed
EP-0747362-A1 Substituted quinoline herbicide intermediates and process American Cyanamid Company (US) 1996-12-11 EP claimed
EP-0747362-B1 Substituted quinoline herbicide intermediates and process BASF AG (DE) 2002-10-30 EP disclosed
EP-0747362-A1 Substituted quinoline herbicide intermediates and process American Cyanamid Company (US) 1996-12-11 EP disclosed