SCHEMBL21819804

SCHEMBL21819804

COC(=O)c1ccc(-c2ccccc2)cc1NC(=O)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 3/20 0.58
▸ POLB P06746 1/20 0.54
▸ MEN1 O00255 5/20 0.53
▸ LMNA P02545 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ KDM4E B2RXH2 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ KCNQ2 O43526 1/20 0.48
▸ CLK1 P49759 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ MCOLN3 Q8TDD5 1/20 0.47
▸ PARP14 Q460N5 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL21819805 0.91 POLB (0.54) ACLYPOLBMEN1LMNAKMT2A
SCHEMBL21819802 0.89 KDM4E (0.56) ACLYMEN1LMNAKMT2AKDM4E
SCHEMBL19512125 0.89 ACLY (0.74) ACLYMEN1LMNAKMT2AKDM4E
SCHEMBL19512104 0.87 LMNA (0.50) ACLYPOLBMEN1LMNAKMT2A
SCHEMBL19511957 0.87 MEN1 (0.50) ACLYPOLBMEN1LMNAKMT2A
SCHEMBL22000651 0.86 ACLY (0.78) ACLYPOLBMEN1LMNAKMT2A
SCHEMBL19512023 0.85 MEN1 (0.60) POLBMEN1LMNAKMT2AKDM4E
SCHEMBL19512124 0.81 ACLY (0.60) ACLYMEN1LMNAKMT2AKDM4E
SCHEMBL21819809 0.81 KDM4E (0.56) MEN1LMNAKMT2AKDM4EMAPT
SCHEMBL19512025 0.80 KDM4E (0.44) POLBMEN1LMNAKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239133-B1 DREAM NEURONAL CALCIUM SENSOR-MODULATING COMPOUNDS, AND THERAPEUTIC USES THEREOF CONSEJO SUPERIOR INVESTIGACION (ES) 2020-04-01 — — EP claimed
EP-3239133-B1 DREAM NEURONAL CALCIUM SENSOR-MODULATING COMPOUNDS, AND THERAPEUTIC USES THEREOF CONSEJO SUPERIOR INVESTIGACION (ES) 2020-04-01 — — EP disclosed
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