SCHEMBL28522239

SCHEMBL28522239

NC(c1cccc(C(=O)O)c1)C(C[N+](=O)[O-])c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.52
ENPEP Q07075 2/20 0.52
TP53 P04637 1/20 0.45
GRM4 Q14833 1/20 0.41
FBP1 P09467 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
KMO O15229 1/20 0.39
CPA1 P15085 3/20 0.39

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
SCHEMBL4162990 0.76 CPA1 (0.49) KMOCPA1
SCHEMBL221352 0.73 TDP1 (0.47) CPA1
SCHEMBL221353 0.73 TDP1 (0.47) CPA1
SCHEMBL22831433 0.72 CPA1 (0.51) CPA1
SCHEMBL11779038 0.72 TP53 (0.56) ANPEPENPEPTP53FBP1CA1
SCHEMBL11149119 0.72 TDP1 (0.46) CPA1
SCHEMBL27997462 0.71 ANPEP (0.68) ANPEPENPEPGRM4CA1CA2
SCHEMBL2810142 0.71 ANPEP (0.68) ANPEPENPEPGRM4CA1CA2
SCHEMBL3478224 0.71 NPC1 (0.45) CPA1
SCHEMBL3462628 0.71 AKR1C3 (0.50) TP53

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-112280819-A Application of FRT cell strain in preparation of preparation or kit for screening CaCC regulator 吉林医药学院 2021-01-29 CN disclosed