SCHEMBL7787206

SCHEMBL7787206

Cc1cc(Br)ccc1Nc1c(C(=O)OC(=O)c2cc([N+](=O)[O-])ccc2Nc2ccc(I)cc2Br)ccc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.41
MAP2K2 P36507 9/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PIM1 P11309 1/20 0.38
CAMK2B Q13554 1/20 0.38
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
BRAF P15056 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
SCHEMBL7787202 0.90 MAP2K1 (0.51) MAP2K1MAP2K2MEN1KMT2ALMNA
SCHEMBL7943544 0.76 MAP2K1 (0.43) MAP2K1MAP2K2KMT2APIM1CAMK2B
SCHEMBL7784769 0.75 NHERF1 (0.43) MEN1KMT2ALMNATDP1MAPK1
SCHEMBL6138222 0.72 MAP2K1 (0.60) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL6035819 0.71 CTSV (0.60) MEN1KMT2ALMNAHDAC6MAPK1
SCHEMBL7854339 0.71 MEN1 (0.46) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL6035670 0.70 MAP2K1 (0.59) MAP2K1MAP2K2MEN1KMT2AMAPK1
SCHEMBL4861481 0.70 MAP2K1 (0.56) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL5389889 0.69 MAP2K1 (0.61) MAP2K1MAP2K2PIM1CAMK2BHDAC3
SCHEMBL5678051 0.69 MAPT (0.60) MEN1KMT2ALMNATDP1HDAC6

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