SCHEMBL7784882

SCHEMBL7784882

CCN(CC)CCNC(=O)c1cc(Br)ccc1Nc1ccc(I)cc1C.Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NCCN(CCO)CCO.Cc1cc(I)ccc1Nc1ccc(Cl)cc1C(=O)NCCN(CCO)CCO.Cc1cc(I)ccc1Nc1ccc(Cl)cc1C(=O)NCCN1CCCC1.Cc1cc(I)ccc1Nc1ccccc1C(=O)NCCCN1CCN(CCO)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.37
SMYD2 Q9NRG4 4/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
SLC6A4 P31645 2/20 0.36
DRD3 P35462 2/20 0.36
PDGFRB P09619 2/20 0.35
KIT P10721 2/20 0.35
KDR P35968 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
SCHEMBL7800376 0.86 LMNA (0.34) KMT2ALMNAMAPTSMYD2HTR2A
SCHEMBL7787331 0.84 CYP1A2 (0.44) KMT2AHTTPDGFRBKITKDR
SCHEMBL7802510 0.84 ALDH1A1 (0.38) KMT2ADRD3PDGFRBKITKDR
SCHEMBL6036129 0.81 SLC6A4 (0.46) KMT2ALMNAMAPTHTR2AHTR2C
SCHEMBL6036070 0.81 LMNA (0.47) LMNAHTR2AHTR2CSLC6A4DRD3
SCHEMBL6036120 0.80 KMT2A (0.49) KMT2ALMNAMAPTSMYD2HTR2A
SCHEMBL7780236 0.79 MAPT (0.35) LMNAMAPTPDGFRBKITKDR
SCHEMBL6035652 0.79 HTR4 (0.46) KMT2ASMYD2HTR2AHTR2CSLC6A4
SCHEMBL6035840 0.79 LMNA (0.48) KMT2ALMNASMYD2
SCHEMBL6035188 0.78 ALDH1A1 (0.50) KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140067-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
EP-1140062-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
EP-1140291-A1 COMBINATION CHEMOTHERAPY COMPRISING A MITOTIC INHIBITOR AND A MEK INHIBITOR WARNER-LAMBERT COMPANY LLC (US) 2001-10-10 EP disclosed
WO-2000037141-A9 COMBINATION CHEMOTHERAPY WARNER LAMBERT CO (US) 2000-12-07 WO disclosed
WO-2000040235-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO disclosed
WO-2000040237-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO disclosed
WO-2000037141-A1 COMBINATION CHEMOTHERAPY WARNER-LAMBERT COMPANY (US) 2000-06-29 WO disclosed