SCHEMBL29830077

SCHEMBL29830077

CC(C)(C)OC(=O)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)O)cc4c3)cc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LEF1 Q9UJU2 1/20 0.67
▸ TP53 P04637 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ NHERF1 O14745 2/20 0.51
▸ NPC1 O15118 6/20 0.49
▸ RAB9A P51151 6/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ RXFP1 Q9HBX9 3/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ PRNP P04156 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ PLD2 O14939 1/20 0.47
▸ PLD1 Q13393 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PIN1 Q13526 1/20 0.47
▸ KMT2A Q03164 2/20 0.47

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
SCHEMBL3030225 0.95 LEF1 (0.60) LEF1TP53POLBNHERF1KDM4E
SCHEMBL19885734 0.94 LEF1 (0.61) LEF1TP53POLBNHERF1NPC1
SCHEMBL6619949 0.89 LEF1 (0.81) LEF1TP53POLBNHERF1NPC1
SCHEMBL20275135 0.86 LEF1 (0.62) LEF1TP53POLBNHERF1NPC1
SCHEMBL3035898 0.85 LEF1 (0.49) LEF1KDM4EPIN1MAPT
SCHEMBL6617416 0.84 LEF1 (0.74) LEF1TP53NPC1RAB9AKDM4E
SCHEMBL13311254 0.84 LEF1 (0.59) LEF1TP53POLBNHERF1NPC1
SCHEMBL6816854 0.83 NPC1 (0.67) LEF1TP53POLBNPC1RAB9A
SCHEMBL17414822 0.83 LEF1 (0.48) LEF1TP53POLBKDM4EALDH1A1
SCHEMBL20742974 0.81 FLT3 (0.59) LEF1

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
EP-3587426-B1 NEW ALKYLATING AGENTS NERVIANO MEDICAL SCIENCES SRL (IT) 2022-08-10 — — EP disclosed
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