SCHEMBL6607594

SCHEMBL6607594

NC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
RAB9A P51151 1/20 0.69
IKBKB O14920 6/20 0.67
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2C9 P11712 2/20 0.67
BTK Q06187 1/20 0.67
TUBB4A P04350 1/20 0.62
TUBB P07437 1/20 0.62
TUBA3C P0DPH7 1/20 0.62
TUBA1B P68363 1/20 0.62
TUBA4A P68366 1/20 0.62
TUBB4B P68371 1/20 0.62
TUBB3 Q13509 1/20 0.62
TUBB2A Q13885 1/20 0.62
TUBB8 Q3ZCM7 1/20 0.62
TUBA3E Q6PEY2 1/20 0.62
TUBA1A Q71U36 1/20 0.62

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
SCHEMBL6610018 0.87 IKBKB (0.64) MAPTMEN1KMT2ARAB9AIKBKB
SCHEMBL4354866 0.82 MAPT (1.00) MAPTMEN1KMT2ARAB9ACYP1A2
SCHEMBL1847243 0.81 IKBKB (1.00) MAPTMEN1KMT2ARAB9AIKBKB
SCHEMBL6609956 0.80 IKBKB (0.79) MAPTMEN1KMT2ARAB9AIKBKB
SCHEMBL6608181 0.79 IKBKB (0.77) MAPTMEN1KMT2ARAB9AIKBKB
SCHEMBL4086753 0.77 IKBKB (0.75) MAPTMEN1KMT2ARAB9AIKBKB
SCHEMBL6607937 0.77 IKBKB (0.74) MAPTMEN1KMT2ARAB9AIKBKB
SCHEMBL875026 0.76 MAPT (0.53) MAPTMEN1KMT2ARAB9AIKBKB
SCHEMBL6608195 0.75 IKBKB (0.70) MAPTMEN1KMT2ARAB9AIKBKB
SCHEMBL4093065 0.75 IKBKB (0.76) MAPTMEN1KMT2ARAB9AIKBKB

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-1444010-A2 HETEROAROMATIC CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-08-11 EP claimed
WO-2003037886-A2 HETEROAROMATIC CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-05-08 WO claimed
EP-1444010-A2 HETEROAROMATIC CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-08-11 EP disclosed
WO-2003037886-A2 HETEROAROMATIC CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-05-08 WO disclosed