SCHEMBL7811222

SCHEMBL7811222

Cc1c(Br)cc(C=O)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 2/20 0.42
ALDH1A1 P00352 6/20 0.40
ALDH3A1 P30838 1/20 0.40
CYP2A6 P11509 1/20 0.40
MAPK1 P28482 1/20 0.38
SRC P12931 1/20 0.36
PRKDC P78527 1/20 0.35
ACP1 P24666 2/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL15370277 0.88 SRC (0.41) ALDH1A3ALDH1A1ALDH3A1CYP2A6MAPK1
SCHEMBL22490227 0.84 ALDH1A3 (0.37) ALDH1A3ALDH1A1ALDH3A1CYP2A6MAPK1
SCHEMBL19317368 0.81 ALDH1A1 (0.51) ALDH1A1MAPK1PRKDCGAATSHR
SCHEMBL22120279 0.80 ALDH1A3 (0.34) ALDH1A3ALDH1A1ALDH3A1CYP2A6MAPK1
SCHEMBL22452371 0.78 SRC (0.41) ALDH1A3ALDH1A1ALDH3A1CYP2A6MAPK1
SCHEMBL22120150 0.78 ALDH1A1 (0.42) ALDH1A3ALDH1A1ALDH3A1MAPK1SRC
SCHEMBL7814448 0.78 APEX1 (0.45) ALDH1A3ALDH1A1ALDH3A1CYP2A6MAPK1
SCHEMBL548045 0.76 ERN1 (0.42) ALDH1A3ALDH1A1CYP2A6SRCPRKDC
SCHEMBL154851 0.75 ALDH1A3 (0.53) ALDH1A3ALDH1A1ALDH3A1CYP2A6TSHR
SCHEMBL12552996 0.75 ERN1 (0.44) ALDH1A3SRCGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11913944-B2 Photoaffinity probes PROMEGA CORPORATION (US) 2024-02-27 US disclosed
US-20200340982-A1 PHOTOAFFINITY PROBES PROMEGA CORPORATION 2020-10-29 US disclosed
WO-2020191339-A1 PHOTOAFFINITY PROBES PROMEGA CORPORATION (US) 2020-09-24 WO disclosed
US-6320051-B1 AMINO(NH) OR OXYGEN(O) SUBSTITUTED, ENZYME INHIBITORS OF STAPHLOCCOCUS AUREUS METHIONYL T-RNA SYNTHETASE (MRS); ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2001-11-20 US disclosed
EP-1084110-A1 QUINOLONES USED AS MRS INHIBITORS AND BACTERICIDES SMITHKLINE BEECHAM PLC (GB) 2001-03-21 EP disclosed
WO-1999055677-A1 QUINOLONES USED AS MRS INHIBITORS AND BACTERICIDES SMITHKLINE BEECHAM PLC (GB) 1999-11-04 WO disclosed