SCHEMBL31020337

SCHEMBL31020337

O=C(c1ccccc1)C(c1ccccc1)N1CC[AsH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 3/20 0.44
MITF O75030 1/20 0.44
RAB9A P51151 1/20 0.44
GFER P55789 1/20 0.44
PAX8 Q06710 1/20 0.44
ATM Q13315 1/20 0.44
GAA P10253 1/20 0.42
TSHR P16473 4/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 1/20 0.41
MAOB P27338 1/20 0.41
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL6319092 0.75 LMNA (0.52) LMNACES2CES1L3MBTL1TDP1
SCHEMBL9366693 0.75 GAA (0.70) LMNACES2CES1L3MBTL1ALDH1A1
SCHEMBL2468109 0.72 LMNA (0.73) LMNAL3MBTL1ALDH1A1SMN1; SMN2HTT
SCHEMBL10772016 0.72 OPRD1 (0.57) LMNACES2CES1L3MBTL1GAA
Hydrochloric Acid SCHEMBL27478166 0.71 OPRD1 (0.56) LMNACES2CES1L3MBTL1ALDH1A1
SCHEMBL11431398 0.68 ALDH1A1 (0.45) LMNACES2CES1L3MBTL1TDP1
Benzoin SCHEMBL2025536 0.68 CES2 (1.00) LMNACES2CES1L3MBTL1TDP1
Benzoin SCHEMBL10665271 0.68 CES2 (1.00) LMNACES2CES1L3MBTL1TDP1
Benzoin SCHEMBL145 0.68 CES2 (1.00) LMNACES2CES1L3MBTL1TDP1
Benzoin SCHEMBL901258 0.68 CES2 (1.00) LMNACES2CES1L3MBTL1TDP1

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
WO-2024153840-A1 TEMPERATURE AND FLAME-INHIBITING GEL FOR EXTINGUISHING FIRES PEREZ CALLE EDUARDO (ES) 2024-07-25 WO disclosed