Dalfampridine

Dalfampridine

SCHEMBL7539205

CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NC(Cc2cccc(Oc3ccccc3)c2)C(=O)O)CC1.Nc1ccncc1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2

The experimentally established mechanism targets of Dalfampridine. 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
▸ KMT2A Q03164 5/20 0.59
▸ ATM Q13315 2/20 0.59
▸ MEN1 O00255 1/20 0.58
▸ MAPK1 P28482 1/20 0.45
▸ PLG P00747 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ MME P08473 1/20 0.44
▸ ACE P12821 1/20 0.44
▸ CPA1 P15085 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.44
▸ ACACB O00763 5/20 0.43
▸ ACACA Q13085 4/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ NPY5R Q15761 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
Dalfampridine SCHEMBL7540843 0.93 ATM (0.58) KMT2AATMMEN1MAPK1PLG
Dalfampridine SCHEMBL7548353 0.90 KMT2A (0.59) KMT2AATMMEN1MAPK1PLG
SCHEMBL390283 0.83 KMT2A (0.65) KMT2AATMMEN1MAPK1ACE
SCHEMBL390284 0.83 KMT2A (0.65) KMT2AATMMEN1MAPK1ACE
SCHEMBL388984 0.83 KMT2A (0.82) KMT2AATMMEN1MAPK1ACE
SCHEMBL28057007 0.83 KMT2A (0.82) KMT2AATMMEN1MAPK1ACE
SCHEMBL388983 0.83 KMT2A (0.82) KMT2AATMMEN1MAPK1ACE
Aminobenzoic Acid SCHEMBL7274588 0.82 KMT2A (0.70) KMT2AATMMEN1MAPK1PLG
Dimethylamine SCHEMBL10425391 0.81 KMT2A (0.79) KMT2AATMMEN1MAPK1ACE
SCHEMBL23968657 0.81 ATM (0.68) KMT2AATMMEN1MAPK1PLG

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
US-4873253-A Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1989-10-10 — — US disclosed
EP-0284632-A1 Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1988-10-05 — — EP disclosed
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