SCHEMBL7780231

SCHEMBL7780231

COc1ccc(Nc2ccc(I)cc2)c(C(=O)OC(=O)c2cc(F)c(Nc3ccc(I)cc3C)c(F)c2F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.39
AKR1C3 P42330 7/20 0.38
AKR1C2 P52895 7/20 0.38
MAPK14 Q16539 2/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.36
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DHODH Q02127 1/20 0.35
P2RX7 Q99572 2/20 0.35
MAP2K2 P36507 2/20 0.35
MAP2K1 Q02750 2/20 0.35
CTSV O60911 1/20 0.35
CTSL P07711 1/20 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
SCHEMBL7780227 0.90 MEN1 (0.52) MEN1KMT2ATDP1LMNAPOLB
SCHEMBL7851949 0.83 AKR1C3 (0.47) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL7800356 0.82 DHODH (0.47) MEN1KMT2ATDP1LMNAPOLB
SCHEMBL6035677 0.75 MAP2K1 (0.55) MEN1KMT2ATDP1GFERSMN1; SMN2
SCHEMBL7851947 0.74 MEN1 (0.59) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL5676620 0.71 MEN1 (0.75) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL4853895 0.71 MEN1 (0.62) MEN1KMT2ATDP1MAP2K2MAP2K1
SCHEMBL14594275 0.71 MEN1 (0.62) MEN1KMT2ATDP1MAP2K2MAP2K1
SCHEMBL4851861 0.69 MEN1 (0.60) MEN1KMT2ATDP1GFERSMN1; SMN2
SCHEMBL6138222 0.69 MAP2K1 (0.60) MEN1KMT2ATDP1MAP2K2MAP2K1

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-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