SCHEMBL29083255

SCHEMBL29083255

CC(=O)Nc1cc(Oc2ccc([N+](=O)[O-])c(C)c2C)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
POLB P06746 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CSF1R P07333 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
ALDH3A1 P30838 1/20 0.43
GCK P35557 4/20 0.42
MAPK14 Q16539 2/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 2/20 0.42
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK12 P53778 1/20 0.40

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
SCHEMBL23795626 0.90 MEN1 (0.43) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL23795618 0.89 MEN1 (0.42) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL2551479 0.89 GCK (0.56) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL29788823 0.89 GCK (0.56) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL29083232 0.88 ALDH1A1 (0.42) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL29083248 0.88 POLB (0.42) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL29083242 0.87 KDR (0.52) BRAFKDR
SCHEMBL13504178 0.86 RAB9A (0.53) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL2562936 0.85 MAPK14 (0.49) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL29662429 0.85 MAPK14 (0.49) MEN1KMT2APOLBNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907339-B 4- (4-aminophenoxy) pyridin-2-amine derivatives and use thereof 成都奥睿药业有限公司 2023-07-14 CN disclosed
CN-114907339-A 4- (4-aminophenoxy) pyridin-2-amine derivatives and uses thereof 成都奥睿药业有限公司 2022-08-16 CN disclosed