SCHEMBL29423477

SCHEMBL29423477

CC(C)(C)OC(=O)[C@H](COC(=O)Oc1ccc([N+](=O)[O-])cc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MDM2 Q00987 2/20 0.40
▸ ITGA4 P13612 1/20 0.39
▸ ITGB7 P26010 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ GAA P10253 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
SCHEMBL22690713 1.00 MDM4 (0.44) MDM4TP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL22690715 1.00 MDM4 (0.44) MDM4TP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL31476468 0.85 KMT2A (0.42) MDM4TP53MAPTRAB9ANPSR1
SCHEMBL29529171 0.85 ITGA4 (0.50) MDM4TP53MDM2ITGA4ITGB7
SCHEMBL31520512 0.85 CYP1A2 (0.43) ALDH1A1MAPTRAB9ANPSR1HTR2A
SCHEMBL14600028 0.84 MGLL (0.40) MDM2HTR2A
SCHEMBL5557405 0.84 MGLL (0.40) MDM2HTR2A
SCHEMBL31520518 0.84 HTR2A (0.43) MDM4TP53ALDH1A1MAPTRAB9A
SCHEMBL22960724 0.84 MDM4 (0.43) MDM4TP53ALDH1A1MDM2
SCHEMBL31520535 0.82 HTR2A (0.42) ALDH1A1HTR2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4251208-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE Novartis AG (CH) 2023-10-04 — — EP disclosed
WO-2022115451-A1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE NOVARTIS AG (CH) 2022-06-02 — — WO disclosed
EP-3972651-A2 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE Novartis AG (CH) 2022-03-30 — — EP disclosed
EP-3972649-A2 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE Novartis AG (CH) 2022-03-30 — — EP disclosed
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