SCHEMBL21048967

SCHEMBL21048967

CCN(c1ccc(OC)cc1CNC(=O)Oc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
GLA P06280 1/20 0.51
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
FAAH O00519 1/20 0.45
LMNA P02545 2/20 0.44
MGLL Q99685 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
PTGER1 P34995 1/20 0.42
KEAP1 Q14145 3/20 0.42
NFE2L2 Q16236 3/20 0.42
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL21048892 0.83 PTGER1 (0.50) MAPTPTGER1KEAP1NFE2L2APOBEC3A
SCHEMBL29586104 0.75 FAAH (0.55) MAPTALDH1A1MEN1KMT2AFAAH
SCHEMBL17258684 0.73 KMT2A (0.55) MAPTGLAALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL21048898 0.72 KEAP1 (0.46) MAPTMEN1KMT2ALMNAKEAP1
SCHEMBL15231555 0.71 CYP2C9 (0.55) MAPTMEN1KMT2AFAAHMGLL
SCHEMBL17078809 0.71 MEN1 (0.57) MAPTALDH1A1MEN1KMT2AFAAH
SCHEMBL30062604 0.71 MEN1 (0.57) MAPTALDH1A1MEN1KMT2AFAAH
SCHEMBL17258969 0.71 CYP19A1 (0.48) KMT2AFAAHMGLL
SCHEMBL21048953 0.71 LMNA (0.53) MAPTGLAMEN1KMT2ALMNA
SCHEMBL21048810 0.70 GAA (0.47) ALDH1A1NPSR1

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-3143021-B1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER (US) 2019-06-12 EP disclosed