SCHEMBL8127293

SCHEMBL8127293

Cc1cc(NC(C)c2ccccc2)c([N+](=O)[O-])c(OS(=O)(=O)C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MAPT P10636 7/20 0.41
MAPK1 P28482 2/20 0.41
PTGS2 P35354 1/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 3/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR6 P50406 1/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL8114882 0.80 TLR7 (0.34) ALDH1A1GAAHTTMAPTMAPK1
SCHEMBL8127295 0.79 LMNA (0.42) GAAMAPTKMT2ATP53POLB
SCHEMBL9045533 0.75 AR (0.31) ALDH1A1HTTMAPTMAPK1PTGS2
SCHEMBL8127829 0.75 PDE4A (0.36) ALDH1A1GAAHTTMAPTKMT2A
SCHEMBL8123311 0.75 MAPT (0.40) ALDH1A1GAAMAPTMAPK1PTGS2
SCHEMBL4302908 0.73 ALOX5 (0.38) ALDH1A1GAAMAPTKMT2APOLB
SCHEMBL28306189 0.68 ALDH1A1 (0.53) ALDH1A1GAAHTTCRHBPCRHR2
SCHEMBL842730 0.67 TLR7 (0.42) ALDH1A1GAAHTTMAPTMAPK1
SCHEMBL7824056 0.66 CYP3A4 (0.36) GAAHTTMAPTMAPK1KMT2A
SCHEMBL28511396 0.66 KMT2A (0.67) ALDH1A1GAAHTTCRHBPCRHR2

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-0708772-B1 IMIDAZO [4,5-c]PYRIDIN-4-AMINES MINNESOTA MINING & MFG (US) 2000-08-23 EP disclosed