SCHEMBL29899340

SCHEMBL29899340

O=C(NC(Cc1ccccc1[N+](=O)[O-])C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.51
▸ TP53 P04637 3/20 0.51
▸ CASP3 P42574 2/20 0.46
▸ KDM4A O75164 1/20 0.46
▸ SLC17A5 Q9NRA2 1/20 0.45
▸ MDM2 Q00987 5/20 0.45
▸ KMT2A Q03164 2/20 0.43
▸ TLR2 O60603 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
SCHEMBL12491518 1.00 MDM4 (0.51) MDM4TP53CASP3KDM4ASLC17A5
SCHEMBL29929404 1.00 MDM4 (0.51) MDM4TP53CASP3KDM4ASLC17A5
SCHEMBL799728 1.00 MDM4 (0.51) MDM4TP53CASP3KDM4ASLC17A5
SCHEMBL15874657 0.88 MDM2 (0.53) MDM4TP53CASP3SLC17A5MDM2
SCHEMBL8697104 0.85 MDM4 (0.48) MDM4TP53CASP3SLC17A5MDM2
SCHEMBL19678477 0.85 MDM4 (0.59) MDM4TP53CASP3SLC17A5MDM2
SCHEMBL2306646 0.83 MDM4 (0.51) MDM4TP53CASP3MDM2
SCHEMBL29400841 0.83 MDM4 (0.51) MDM4TP53CASP3MDM2
SCHEMBL800312 0.83 MDM4 (0.51) MDM4TP53CASP3MDM2
SCHEMBL29355438 0.83 MDM4 (0.51) MDM4TP53CASP3MDM2

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-115142141-A Cyclic compound library and method for constructing same 亚飞(上海)生物医药科技有限公司 2022-10-04 — — CN disclosed
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