SCHEMBL26709140

SCHEMBL26709140

O=C(C[n+]1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.77
USP2 O75604 1/20 0.67
GSK3B P49841 2/20 0.55
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
MAPT P10636 4/20 0.52
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ATM Q13315 2/20 0.48
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46

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
Iodide SCHEMBL11697562 0.98 PABPC1 (0.80) PABPC1USP2GSK3BERCC5FEN1
Bromide SCHEMBL11696481 0.98 PABPC1 (0.74) PABPC1USP2GSK3BERCC5FEN1
SCHEMBL26707066 0.89 PABPC1 (0.63) PABPC1USP2GSK3BMAPTALDH1A1
SCHEMBL10916379 0.89 PABPC1 (0.96) PABPC1USP2GSK3BERCC5FEN1
SCHEMBL10916383 0.89 PABPC1 (0.72) PABPC1USP2MAPTALDH1A1KDM4E
Iodide SCHEMBL11698515 0.88 PABPC1 (0.71) PABPC1USP2GSK3BERCC5FEN1
Bromide SCHEMBL11785962 0.88 USP2 (0.67) PABPC1USP2MAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11699040 0.88 PABPC1 (0.61) PABPC1USP2GSK3BERCC5FEN1
Hydrochloric Acid SCHEMBL11693007 0.88 HTT (0.66) PABPC1USP2GSK3BMAPTALDH1A1
Bromide SCHEMBL1313738 0.87 PABPC1 (0.93) PABPC1USP2GSK3BERCC5FEN1

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-4265613-A1 BENZENE RING COMPOUND AND USE THEREOF Nanjing Shijiang Medicine Technology Co., Ltd (CN) 2023-10-25 EP disclosed