SCHEMBL30792000

SCHEMBL30792000

COC(=O)c1cc([N+](=O)[O-])c(O)c(C(C)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ERN1 O75460 2/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
ESR1 P03372 1/20 0.45
GPR35 Q9HC97 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
NFKB1 P19838 1/20 0.44
XDH P47989 1/20 0.44

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
SCHEMBL752815 0.90 MEN1 (0.49) VCAM1MEN1KMT2ARXFP1ERN1
SCHEMBL30792131 0.88 VCAM1 (0.52) VCAM1MEN1KMT2ARXFP1ERN1
SCHEMBL5924211 0.85 ESR1 (0.57) VCAM1MEN1KMT2ARXFP1ERN1
Hydrochloric Acid SCHEMBL9064842 0.83 ESR1 (0.56) VCAM1MEN1KMT2ARXFP1ERN1
SCHEMBL31750379 0.81 KDM4E (0.51) VCAM1MEN1KMT2ARXFP1ERN1
SCHEMBL3353665 0.81 MEN1 (0.51) VCAM1MEN1KMT2ARXFP1ERN1
SCHEMBL753386 0.81 KDM4E (0.51) VCAM1MEN1KMT2ARXFP1ERN1
SCHEMBL643856 0.80 KDM4E (0.65) VCAM1MEN1KMT2ARXFP1ERN1
SCHEMBL31440703 0.80 KDM4E (0.65) VCAM1MEN1KMT2ARXFP1ERN1
SCHEMBL4301550 0.79 MEN1 (0.52) VCAM1MEN1KMT2ARXFP1ERN1

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