SCHEMBL2554640

SCHEMBL2554640

O=[N+]([O-])c1c[nH]nc1CC(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 5/20 0.32
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
TSHR P16473 3/20 0.32
BLM P54132 3/20 0.32
HPGD P15428 2/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIK1 P39086 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIK2 Q13002 1/20 0.32
GRIK3 Q13003 1/20 0.32
GRIN2B Q13224 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
SCHEMBL9354801 0.76 LOXL2 (0.35) ARLMNAMAPTCYP1A2CYP3A4
SCHEMBL22609628 0.76 LMNA (0.35) ARLMNAMAPTCYP1A2CYP3A4
SCHEMBL27658163 0.76 LMNA (0.35) ARLMNAMAPTCYP1A2CYP3A4
SCHEMBL2556010 0.76 GAA (0.40) LMNAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL2227139 0.75 TXNRD1 (0.34) ARLMNAMAPTCYP3A4TSHR
SCHEMBL28275491 0.73 PIM3 (0.39) LMNAMAPTTSHRALDH1A1KDM4E
SCHEMBL27912629 0.73 TXNRD1 (0.30)
SCHEMBL21835575 0.72 TXNRD1 (0.38) LMNAMAPTCYP3A4TSHRHPGD
SCHEMBL20516243 0.72 NPC1 (0.32) LMNAMAPTCYP1A2CYP3A4TSHR
SCHEMBL28033273 0.72 NPC1 (0.35) LMNAMAPTCYP3A4TSHRNOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3731869-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2020-11-04 EP disclosed
EP-3728238-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS Nodthera Limited (GB) 2020-10-28 EP disclosed
CN-103987707-B The base heterocyclic radical benzamide compound of pyrazoles 4 and application method 霍夫曼-拉罗奇有限公司 2017-11-07 CN disclosed
EP-2556066-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2013-02-13 EP disclosed
WO-2011124580-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-10-13 WO disclosed