SCHEMBL7780221

SCHEMBL7780221

Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NCCO.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NOCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 12/20 0.46
MAP2K2 P36507 6/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGS2 P35354 1/20 0.42
MAP2K5 Q13163 1/20 0.40
EIF2AK1 Q9BQI3 1/20 0.40
BRD4 O60885 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GPR52 Q9Y2T5 1/20 0.39
MT-CO2 P00403 1/20 0.38
TOP1 P11387 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6036035 0.93 MEN1 (0.48) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL7802471 0.91 NPC1 (0.41) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL7802500 0.87 LRRK2 (0.46) MAP2K1MEN1KMT2ATDP1PTGS2
SCHEMBL6035385 0.87 MAP2K1 (0.53) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL5389864 0.86 MAP2K1 (0.56) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL7941506 0.86 MEN1 (0.38) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL5378884 0.86 PTGS2 (0.52) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL7800490 0.81 MAP2K1 (0.50) MAP2K1MAP2K2KMT2AGPR52MT-CO2
SCHEMBL6035704 0.81 PTGS2 (0.48) MAP2K1MEN1KMT2ATDP1PTGS2
SCHEMBL6036043 0.81 MAP2K1 (0.55) MAP2K1MAP2K2MEN1KMT2ATDP1

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
EP-1140062-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS 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
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