SCHEMBL27577985

SCHEMBL27577985

CONC1CC1.Cc1cc(I)ccc1Nc1c(C(=O)O)cc([N+](=O)[O-])c2nccnc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.39
KMT2A Q03164 7/20 0.38
MEN1 O00255 6/20 0.38
CYP1A2 P05177 4/20 0.38
CYP2C19 P33261 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
KDM4E B2RXH2 3/20 0.37
HCAR3 P49019 3/20 0.35
MAPT P10636 4/20 0.35
CYP3A4 P08684 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
AKR1C3 P42330 3/20 0.34
AKR1C2 P52895 3/20 0.34
MAP2K1 Q02750 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MYC P01106 1/20 0.32

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
SCHEMBL5989837 0.89 IDO1 (0.47) IDO1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL27578006 0.87 IDO1 (0.37) IDO1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL27557743 0.86 IDO1 (0.41) IDO1KMT2AMEN1TDP1MAPT
SCHEMBL27577990 0.81 MEN1 (0.44) IDO1KMT2AMEN1TDP1MAP2K1
SCHEMBL5991530 0.80 KMT2A (0.44) IDO1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL5989631 0.79 MEN1 (0.61) KMT2AMEN1CYP1A2CYP2C19TDP1
SCHEMBL5989816 0.75 IDO1 (0.45) IDO1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL5989793 0.75 IDO1 (0.46) IDO1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL27578023 0.75 MEN1 (0.43) IDO1KMT2AMEN1TDP1MAP2K1
SCHEMBL27608158 0.74 MAP2K1 (0.43) IDO1KMT2AMEN1TDP1MAP2K1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1358094-A Methods of treating chronic pain with MEK inhibitors WARNER LAMBERT CO (US) 2002-07-10 CN disclosed