SCHEMBL29008161

SCHEMBL29008161

CCNN1C(=O)C=CC1=O.NS(=O)(=O)c1cccc2nc3ccccc3cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 4/20 0.40
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
PTBP1 P26599 1/20 0.39
RAB9A P51151 1/20 0.39
RCE1 Q9Y256 1/20 0.39
RXFP1 Q9HBX9 1/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 2/20 0.36
TP53 P04637 1/20 0.34

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
SCHEMBL164735 0.81 CA2 (0.59) CA1CA2CA9KDM4EALDH1A1
Methane SCHEMBL28725834 0.80 CA2 (0.58) CA1CA2CA9KDM4EALDH1A1
SCHEMBL642753 0.80 CA2 (0.58) CA1CA2CA9KDM4EALDH1A1
Acridine SCHEMBL28003717 0.80 CA2 (0.58) CA1CA2CA9KDM4EALDH1A1
SCHEMBL6253833 0.71 ALDH1A1 (0.50) CA1CA2CA9KDM4EALDH1A1
SCHEMBL28725833 0.69 ALDH1A1 (0.48) KDM4EALDH1A1KMT2ANPC1LMNA
SCHEMBL329214 0.68 ALDH1A1 (0.53) CA1CA2CA9KDM4EALDH1A1
SCHEMBL29021903 0.67 ALDH1A1 (0.49) CA1CA2CA9KDM4EALDH1A1
SCHEMBL329215 0.67 ALDH1A1 (0.51) CA1CA2CA9KDM4EALDH1A1
SCHEMBL30272856 0.67 ALDH1A1 (0.51) CA1CA2CA9KDM4EALDH1A1

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-116183898-A Preparation method and application of acridine substance-marked antibody 深圳市天大生物医疗器械有限公司 2023-05-30 CN disclosed