SCHEMBL29131835

SCHEMBL29131835

Cc1cn(-c2ccc(C(=O)O)cc2)cc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
APEX1 P27695 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
DDAH1 O94760 1/20 0.43

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
SCHEMBL9611418 0.85 NOTUM (0.50) ALDH1A1KDM4EMEN1POLBMAPT
SCHEMBL11937703 0.78
SCHEMBL15801116 0.75 KMT2A (0.58) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL11937692 0.74
SCHEMBL1757226 0.71 PDE4A (0.59) ALDH1A1KDM4EMEN1POLBMAPT
SCHEMBL3669707 0.71 NOTUM (0.48) ALDH1A1KDM4EMEN1POLBMAPT
SCHEMBL217623 0.70 AOC2 (0.60) ALDH1A1KDM4EMEN1POLBMAPT
SCHEMBL27860897 0.70 MYC (0.56) ALDH1A1KDM4EMEN1POLBMAPT
Terephthalic Acid SCHEMBL234183 0.69 TSHR (0.92) ALDH1A1SMN1; SMN2TP53TSHR
SCHEMBL3034623 0.69 CA9 (0.65) ALDH1A1KDM4EMEN1POLBMAPT

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-116969890-A One-dimensional Zn-CP fluorescent probe material, preparation method thereof and CrO identification 42- And Cr (V) 2 O 72- Applications of (2) 常州大学 2023-10-31 CN disclosed