SCHEMBL29189923

SCHEMBL29189923

COC(=O)c1ccc(O)c([N+](=O)[O-])n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.43
MAPK1 P28482 1/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
XDH P47989 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 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
SCHEMBL29150057 0.84 NOTUM (0.40) MAPK1NPSR1KMT2APOLBMEN1
SCHEMBL187734 0.84 ALDH1A1 (0.44) MAPK1KMT2APOLBMAPTNPC1
SCHEMBL26140305 0.79 NPSR1 (0.50) LCKMAPK1CA12CA1CA2
SCHEMBL5117547 0.76 CNR2 (0.40) NPSR1KMT2APOLBMEN1MAPT
SCHEMBL31489882 0.76 TXNRD1 (0.45) MAPK1NPSR1KMT2APOLBMEN1
SCHEMBL25320720 0.75 SIRT6 (0.43) MAPK1NPSR1KMT2APOLBMEN1
SCHEMBL31413102 0.75 SIRT6 (0.43) MAPK1NPSR1KMT2APOLBMEN1
SCHEMBL11388218 0.75 ALDH1A1 (0.42) MAPK1NPSR1KMT2APOLBMEN1
SCHEMBL16372000 0.75 LCK (0.47) LCKMAPK1CA12CA1CA2
SCHEMBL30663244 0.75 ALDH1A1 (0.54) KMT2APOLBMEN1GAAMAPT

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