SCHEMBL7784767

SCHEMBL7784767

Cc1cc(I)ccc1Nc1cc(Cl)ccc1C(=O)O.Cc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.51
KMT2A Q03164 6/20 0.50
MAPT P10636 5/20 0.50
MEN1 O00255 5/20 0.50
CTSV O60911 2/20 0.50
CTSL P07711 2/20 0.50
MYC P01106 1/20 0.48
MAX P61244 1/20 0.48
CDK2 P24941 2/20 0.44
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
GRIK1 P39086 1/20 0.43
AURKA O14965 1/20 0.43
NPC1 O15118 1/20 0.43
PDPK1 O15530 1/20 0.43
JAK2 O60674 1/20 0.43
GMNN O75496 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL5678051 0.90 MAPT (0.60) IDO1KMT2AMAPTMEN1CTSV
SCHEMBL6036299 0.89 IDO1 (0.56) IDO1KMT2AMAPTMEN1CTSV
SCHEMBL7784769 0.88 NHERF1 (0.43) IDO1KMT2AMAPTMEN1CTSV
SCHEMBL5680871 0.87 IDO1 (0.61) IDO1KMT2AMEN1AKR1C3AKR1C2
SCHEMBL7800477 0.87 MYC (0.46) IDO1KMT2AMAPTMEN1CTSV
SCHEMBL5677750 0.83 IDO1 (0.62) IDO1KMT2AMAPTMEN1MYC
SCHEMBL6035982 0.82 IDO1 (0.61) IDO1KMT2AMAPTMEN1MYC
SCHEMBL6036349 0.81 CTSV (0.60) KMT2AMAPTMEN1CTSVCTSL
SCHEMBL7800476 0.80 MAPT (0.46) KMT2AMAPTMEN1CTSVCTSL
SCHEMBL7897611 0.80 MAPT (0.46) IDO1KMT2AMAPTMEN1CTSV

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