SCHEMBL7787331

SCHEMBL7787331

CCN(CC)CCNC(=O)c1cc(Cl)ccc1Nc1ccc(I)cc1C.Cc1cc(I)ccc1Nc1ccc(Cl)cc1C(=O)NCCN1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.43
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
KDR P35968 1/20 0.41
EPHX2 P34913 1/20 0.41
HTR4 Q13639 1/20 0.39
CACNA1G O43497 2/20 0.39
HSD17B10 Q99714 1/20 0.39
F10 P00742 1/20 0.39
HTT P42858 1/20 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
SCHEMBL6035976 0.92 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C9ALDH1A1MEN1
SCHEMBL6035188 0.91 ALDH1A1 (0.50) CYP1A2CYP2D6CYP2C9ALDH1A1MEN1
SCHEMBL6035303 0.89 ALDH1A1 (0.45) CYP1A2CYP2D6CYP2C9ALDH1A1KMT2A
SCHEMBL6035652 0.87 HTR4 (0.46) CYP1A2CYP2D6CYP2C9ALDH1A1MEN1
SCHEMBL7784882 0.84 KMT2A (0.38) KMT2APDGFRBKITKDRHTT
SCHEMBL6036183 0.84 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHSD17B10HTT
SCHEMBL6035285 0.83 CYP2C19 (0.61) CYP1A2CYP2D6CYP2C9ALDH1A1MEN1
SCHEMBL6035944 0.82 HPGD (0.45) HSD17B10F10HTT
SCHEMBL7802510 0.82 ALDH1A1 (0.38) CYP1A2CYP2D6CYP2C9ALDH1A1MEN1
SCHEMBL6035295 0.81 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C9ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1143957-A3 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-02-27 EP disclosed
EP-1143957-A2 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
EP-1140046-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
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-2000035435-A9 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER LAMBERT CO (US) 2001-03-22 WO disclosed
WO-2000037141-A9 COMBINATION CHEMOTHERAPY WARNER LAMBERT CO (US) 2000-12-07 WO disclosed
WO-2000040237-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO disclosed
WO-2000040235-A2 TREATMENT OF ASTHMA WITH 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
WO-2000035435-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2000-06-22 WO disclosed
WO-2000035436-A2 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-06-22 WO disclosed