SCHEMBL30792124

SCHEMBL30792124

Nc1c([N+](=O)[O-])ccc(C(=O)O)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
LMNA P02545 3/20 0.43
DTYMK P23919 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
TTR P02766 1/20 0.41
PPOX P50336 1/20 0.41
KMT2A Q03164 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
SCHEMBL29190134 1.00 AKR1B1 (0.44) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL30196014 0.83 AKR1B1 (0.45) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL23581862 0.83 AKR1B1 (0.45) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL29189941 0.82 CFTR (0.47) ALDH1A1TDP1CYP3A4ALOX15LMNA
SCHEMBL29189985 0.78 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4ALOX15LMNA
SCHEMBL4332289 0.78 TSHR (0.58) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL20981570 0.77 ALDH1A1 (0.49) ALDH1A1TDP1CYP3A4ALOX15LMNA
SCHEMBL30153092 0.77 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4ALOX15LMNA
SCHEMBL30152516 0.76 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4ALOX15LMNA
SCHEMBL30792144 0.76 TSHR (0.47) ALDH1A1TDP1CYP3A4MAPTHSD17B10

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
CN-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 CN disclosed