SCHEMBL9353291

SCHEMBL9353291

O=C(O)CCCCCN(C(=O)c1c2ccccc2nc2ccccc12)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 1/20 0.48
C1R P00736 1/20 0.43
LTB4R Q15722 1/20 0.41
TBXAS1 P24557 2/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MMP14 P50281 1/20 0.37
BACE1 P56817 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL8576213 0.88 ALDH1A1 (0.44) MAPK1KMT2ATDP1ALDH1A1C1R
SCHEMBL8574670 0.88 C1R (0.47) MAPK1KMT2ATDP1ALDH1A1C1R
SCHEMBL8574639 0.87 KEAP1 (0.46) MAPK1KMT2ATDP1ALDH1A1C1R
SCHEMBL9349485 0.87 KEAP1 (0.46) KMT2AALDH1A1LTB4RKEAP1NFE2L2
SCHEMBL8574327 0.85 KEAP1 (0.47) MAPK1KMT2AALDH1A1C1RKEAP1
SCHEMBL18114374 0.82 KEAP1 (0.48) MAPK1KMT2AALDH1A1C1RKEAP1
SCHEMBL9353204 0.78 KEAP1 (0.50) MAPK1KMT2AALDH1A1C1RKEAP1
SCHEMBL8577911 0.76 C1R (0.49) MAPK1KMT2ATDP1ALDH1A1C1R
SCHEMBL8577942 0.76 KMT2A (0.43) MAPK1KMT2ATDP1ALDH1A1KEAP1
SCHEMBL8578075 0.76 LMNA (0.36) MAPK1KMT2ATDP1ALDH1A1C1R

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-0273115-B1 Chemiluminescent acridinium and phenanthridinium salts ABBOTT LAB (US) 1994-09-07 EP disclosed