SCHEMBL17029652

SCHEMBL17029652

CN(C)S(=O)(=O)Cc1ccc(NO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.46
HPGD P15428 5/20 0.43
NAMPT P43490 1/20 0.38
ALDH1A1 P00352 3/20 0.38
RORC P51449 1/20 0.37
MMP3 P08254 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 1/20 0.37
HSP90AA1 P07900 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 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
SCHEMBL14039773 0.84 CNR2 (0.45) HPGDALDH1A1RORCALOX15HSP90AA1
SCHEMBL4349254 0.81 NPY5R (0.46) NPY5RHPGDNAMPTALDH1A1RORC
Hydrochloric Acid SCHEMBL4349336 0.80 NPY5R (0.45) NPY5RHPGDNAMPTALDH1A1RORC
SCHEMBL4491486 0.76 HPGD (0.53) NPY5RHPGDALDH1A1HSD17B10HSP90AA1
SCHEMBL10286193 0.76 KMT2A (0.46) NPY5RHPGDALDH1A1HSD17B10MEN1
SCHEMBL9250331 0.75 TAAR1 (0.45) NPY5RHPGDALDH1A1RORCHSD17B10
SCHEMBL4349128 0.75 NPY5R (0.43) NPY5RHPGDALDH1A1HSD17B10ALOX15
SCHEMBL29958161 0.74 LPL (0.48) NPY5RHSP90AA1KDM4ECA1CA2
SCHEMBL3174757 0.74 HSP90AA1 (0.57) NPY5RHPGDALDH1A1HSD17B10ALOX15
SCHEMBL6180312 0.73 RORC (0.48) NPY5RHPGDRORCHSD17B10

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
EP-2137164-B1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-08-26 EP disclosed