SCHEMBL31420198

SCHEMBL31420198

O=C(OCBr)c1ccccc1.[Na]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.63
MAPK1 P28482 1/20 0.61
HIF1A Q16665 1/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A3 Q01959 1/20 0.61
KMT2A Q03164 1/20 0.61
LMNA P02545 3/20 0.59
ALDH1A1 P00352 2/20 0.59
F2 P00734 1/20 0.56
TSHR P16473 2/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
HPGD P15428 1/20 0.55
PTPN1 P18031 1/20 0.52
GSK3B P49841 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL537205 0.98 TDP1 (0.65) TDP1MAPK1HIF1ASLC6A2SLC6A3
Bicarbonate SCHEMBL27655012 0.90 TDP1 (0.57) TDP1MAPK1HIF1ASLC6A2SLC6A3
Bicarbonate SCHEMBL27655013 0.90 TDP1 (0.57) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL28850685 0.88 TDP1 (0.55) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL28174269 0.86 TDP1 (0.53) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL28716126 0.85 ESR1 (0.52) TDP1MAPK1HIF1ASLC6A2SLC6A3
Pyrrolidine SCHEMBL27926422 0.83 TDP1 (0.50) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL561869 0.83 TDP1 (0.70) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL17978153 0.82 LMNA (0.50) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL28716128 0.82 TSHR (0.55) TDP1MAPK1HIF1ASLC6A2SLC6A3

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-119529804-A Middle-phase microemulsion oil displacement agent and preparation method and application thereof 中国石油天然气股份有限公司 2025-02-28 CN claimed
CN-119529804-A Middle-phase microemulsion oil displacement agent and preparation method and application thereof 中国石油天然气股份有限公司 2025-02-28 CN disclosed