SCHEMBL31259778

SCHEMBL31259778

CN(C)S(=O)(=O)c1cc(-c2cnn(C)c2)cc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.44
ALDH1A1 P00352 5/20 0.40
CYP3A4 P08684 2/20 0.40
POLB P06746 2/20 0.40
AURKA O14965 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE2A O00408 1/20 0.40
PDE5A O76074 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
PDE4A P27815 1/20 0.40
BLM P54132 1/20 0.40
PDE1B Q01064 1/20 0.40
PMP22 Q01453 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE7A Q13946 1/20 0.40

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
SCHEMBL31259643 0.85 CCNC (0.47) ERN1ALDH1A1POLBMAPTCDK2
SCHEMBL31259726 0.82 CA12 (0.46) ERN1ALDH1A1POLBMAPTCDK2
SCHEMBL17680435 0.82 CYP19A1 (0.55) ERN1ALDH1A1POLBAURKAMAPT
SCHEMBL17794965 0.80 AURKA (0.41) ERN1ALDH1A1AURKAMEN1KMT2A
SCHEMBL31259710 0.79 AURKA (0.43) AURKACDK2CCNA2TTKBRD4
SCHEMBL17806596 0.77 AURKA (0.39) ERN1AURKACDK2CCNA2TTK
SCHEMBL17680442 0.76 ERN1 (0.49) ERN1ALDH1A1POLBAURKAMAPT
SCHEMBL1571809 0.76 ERN1 (0.55) ERN1ALDH1A1POLBAURKAMEN1
SCHEMBL1571428 0.73 ERN1 (0.52) ERN1ALDH1A1POLBAURKAMAPT
SCHEMBL16055423 0.73 ERN1 (0.46) ERN1ALDH1A1POLBMEN1KMT2A

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
WO-2024254527-A1 METHODS OF TREATING INFLAMMATORY DISEASES INTERLINE THERAPEUTICS, INC. (US) 2024-12-12 WO disclosed