SCHEMBL28508136

SCHEMBL28508136

COC(=O)c1ccc(C(C(C)[N+](=O)[O-])N(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
KAT2B Q92831 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ROCK2 O75116 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA7 P43166 1/20 0.41
RAB9A P51151 3/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
NOTUM Q6P988 1/20 0.38

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
SCHEMBL19377003 1.00 POLB (0.43) POLBKAT2BMEN1KMT2AROCK2
SCHEMBL17571721 0.82 CA1 (0.48) KAT2BMEN1KMT2AROCK2ALDH1A1
SCHEMBL21360220 0.81 POLB (0.47) POLBMEN1KMT2AALDH1A1CA1
SCHEMBL19397755 0.79 KAT2B (0.46) KAT2BMEN1KMT2AROCK2ALDH1A1
SCHEMBL19402461 0.79 KAT2B (0.52) KAT2BROCK2ALDH1A1CA1CA2
SCHEMBL28505889 0.79 KAT2B (0.46) KAT2BROCK2ALDH1A1CA1CA2
SCHEMBL17571687 0.79 KAT2B (0.46) KAT2BROCK2ALDH1A1CA1CA2
SCHEMBL17007854 0.79 POLB (0.50) POLBMEN1KMT2AALDH1A1CA1
SCHEMBL19397772 0.77 KAT2B (0.50) KAT2BROCK2ALDH1A1CA1CA2
SCHEMBL17559144 0.74 ACHE (0.33) KAT2B

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-107074824-B Phthalazine derivatives of formula (I) as PCAF and GCN5 inhibitors for the treatment of cancer 基因泰克公司 2021-01-08 CN disclosed