Edrophonium

Edrophonium

SCHEMBL8009388

CC[N+](C)(C)c1cccc(O)c1.CC[N+](C)(C)c1cccc(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHE

The experimentally established mechanism targets of Edrophonium. 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 6/20 1.00
TSHR P16473 4/20 1.00
OPRM1 P35372 1/20 1.00
BLM P54132 1/20 0.96
SMN1; SMN2 Q16637 1/20 0.96
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 4/20 0.44
CA12 O43570 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
LMNA P02545 1/20 0.44
CA5A P35218 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
ENPP2 Q13822 1/20 0.38
RECQL P46063 1/20 0.37

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
Edrophonium SCHEMBL29627074 1.00 ACHE (1.00) ACHETSHROPRM1BLMSMN1; SMN2
Edrophonium SCHEMBL34790 1.00 ACHE (1.00) ACHETSHROPRM1BLMSMN1; SMN2
Edrophonium SCHEMBL34789 0.98 ACHE (1.00) ACHETSHROPRM1BLMSMN1; SMN2
Edrophonium SCHEMBL10893553 0.98 ACHE (0.96) ACHETSHROPRM1BLMSMN1; SMN2
Edrophonium SCHEMBL19148596 0.98 ACHE (1.00) ACHETSHROPRM1BLMSMN1; SMN2
Edrophonium SCHEMBL2462104 0.98 ACHE (1.00) ACHETSHROPRM1BLMSMN1; SMN2
Edrophonium SCHEMBL10893551 0.96 ACHE (0.96) ACHETSHROPRM1BLMSMN1; SMN2
Edrophonium SCHEMBL4065806 0.89 ACHE (0.83) ACHETSHROPRM1BLMSMN1; SMN2
SCHEMBL4611923 0.83 ACHE (0.71) ACHETSHROPRM1BLMSMN1; SMN2
SCHEMBL4611780 0.81 ACHE (0.68) ACHETSHROPRM1BLMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0941224-A4 MULTIVALENT SALTS OF PYRIDOSTIGMINE AND RELATED COMPOUNDS ICN PHARMACEUTICALS (US) 2000-01-12 EP disclosed
EP-0941224-A1 MULTIVALENT SALTS OF PYRIDOSTIGMINE AND RELATED COMPOUNDS ICN Pharmaceuticals, Inc. (US) 1999-09-15 EP disclosed
WO-1998022458-A1 MULTIVALENT SALTS OF PYRIDOSTIGMINE AND RELATED COMPOUNDS ICN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed