SCHEMBL9367158

SCHEMBL9367158

COS(=O)(=O)[O-].C[N+](C)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 2/20 0.47
BCHE P06276 2/20 0.47
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
HTR1A P08908 1/20 0.38
MAOA P21397 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 3/20 0.37
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 4/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAD52 P43351 2/20 0.35

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
SCHEMBL2531547 0.88 APOBEC3A (0.56) BCHEACHEAPOBEC3AAPOBEC3GHTR1A
SCHEMBL27580688 0.80 BCHE (0.42) BCHEACHEAPOBEC3AAPOBEC3GHTR1A
SCHEMBL21957767 0.79 BCHE (0.41) BCHEACHEHTR1AMAOASLC6A2
Acetamide SCHEMBL27397023 0.78 ACHE (0.53) BCHEACHEAPOBEC3AAPOBEC3GHTR1A
SCHEMBL22188512 0.78 ACHE (0.41) BCHEACHELMNANPSR1ALDH1A1
SCHEMBL2811793 0.78 ACHE (0.50) BCHEACHEAPOBEC3AAPOBEC3GHTR1A
Dodecane SCHEMBL27419560 0.77 BCHE (0.46) BCHEACHEAPOBEC3AAPOBEC3GHTR1A
SCHEMBL1684199 0.76 APOBEC3A (0.61) ACHEAPOBEC3AAPOBEC3GLMNAALDH1A1
SCHEMBL12020265 0.76 APOBEC3A (0.61) ACHEAPOBEC3AAPOBEC3GLMNAALDH1A1
SCHEMBL7639305 0.75 APOBEC3A (0.48) ACHEAPOBEC3AAPOBEC3GLMNAALDH1A1

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
US-5147621-A Amine stabilizer CHEMIE AG BITTERFELD-WOLFEN (DE) 1992-09-15 US claimed
EP-0499650-B1 Method for stabilization of phosphorus trichloride BITTERFELD WOLFEN CHEMIE (DE) 1994-08-24 EP disclosed
US-5147621-A Amine stabilizer CHEMIE AG BITTERFELD-WOLFEN (DE) 1992-09-15 US disclosed
EP-0499650-A1 Method for stabilization of phosphorus trichloride Akzo Nobel N.V. (NL) 1992-08-26 EP disclosed