SCHEMBL7780227

SCHEMBL7780227

COc1ccc(Nc2ccc(I)cc2)c(C(=O)O)c1.Cc1cc(I)ccc1Nc1c(F)cc(C(=O)O)c(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
AKR1C3 P42330 12/20 0.46
AKR1C2 P52895 12/20 0.46
HPGD P15428 1/20 0.45
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
DHODH Q02127 1/20 0.43
IDO1 P14902 1/20 0.42
GAA P10253 1/20 0.42
MAP2K2 P36507 1/20 0.42
MAP2K1 Q02750 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
SCHEMBL7800356 0.92 DHODH (0.47) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL7780231 0.90 MEN1 (0.46) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL6035677 0.85 MAP2K1 (0.55) MEN1KMT2AGFERSMN1; SMN2TDP1
SCHEMBL7851947 0.83 MEN1 (0.59) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL5676620 0.81 MEN1 (0.75) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL5872850 0.77 MAP2K1 (0.56) MEN1KMT2AGFERSMN1; SMN2TDP1
SCHEMBL4853895 0.76 MEN1 (0.62) MEN1KMT2ATDP1IDO1MAP2K2
SCHEMBL5872825 0.76 HSP90AA1 (0.43) MEN1KMT2AMAPTAKR1C3AKR1C2
SCHEMBL27563236 0.74 IDO1 (0.53) MEN1KMT2AAKR1C3AKR1C2GFER
SCHEMBL7851949 0.74 AKR1C3 (0.47) MEN1KMT2ALMNAPOLBMAPT

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-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
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