SCHEMBL14039773

SCHEMBL14039773

CCN(CC)S(=O)(=O)Cc1ccc(NO)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.45
RORC P51449 5/20 0.42
RORA P35398 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
RORB Q92753 1/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL17029652 0.84 NPY5R (0.46) RORCHPGDSMN1; SMN2LMNAHTT
SCHEMBL4770454 0.76 CNR2 (0.49) CNR2RORCSMN1; SMN2LMNAHTT
SCHEMBL2996700 0.76 CNR2 (0.49) CNR2RORCSMN1; SMN2LMNAHTT
SCHEMBL3192672 0.75 CNR2 (0.65) CNR2RORCRORANR1H2NR1H3
SCHEMBL17029673 0.74 HPGD (0.44) HPGDSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL17029656 0.70 HTT (0.42) HPGDSMN1; SMN2LMNAHTTMEN1
SCHEMBL2997991 0.70 LOXL2 (0.47) CNR2HTTMEN1KMT2A
SCHEMBL595710 0.69 HPGD (0.52) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5295877 0.69 CNR2 (0.54) CNR2RORCRORANR1H2NR1H3
SCHEMBL2788574 0.68 SERPINE1 (0.58) CNR2HPGDLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137164-B1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-08-26 EP disclosed
WO-2008129069-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2008-10-30 WO disclosed