SCHEMBL25427528

SCHEMBL25427528

NCc1ccc2ccn(Cc3nccn3CCCCC(=O)NCCOCCOCCOCCNC(=O)O)c2c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.37
▸ MTNR1B P49286 2/20 0.37
▸ MCL1 Q07820 10/20 0.36
▸ BCL2 P10415 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NCF1 P14598 1/20 0.33

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
SCHEMBL29208453 0.89 PLK1 (0.38) MTNR1AMTNR1BMCL1HDAC8MAPT
SCHEMBL25423878 0.86 KDM4E (0.41) MTNR1AMTNR1BMCL1HDAC8HDAC6
SCHEMBL25426273 0.84 MTNR1A (0.34) MTNR1AMTNR1BMCL1HDAC8HDAC6
SCHEMBL29208419 0.80 KDM4E (0.38) MTNR1AMTNR1BMCL1HDAC8HDAC6
SCHEMBL29208414 0.76 CCNC (0.38) MTNR1AMTNR1BMCL1MAPT
SCHEMBL29208443 0.74 CA1 (0.37) MTNR1AMTNR1B
SCHEMBL25424001 0.72 HDAC8 (0.35) MTNR1AMTNR1BHDAC8HDAC6HDAC1
SCHEMBL25424948 0.71 ALDH1A1 (0.40) MTNR1AMTNR1BMCL1HDAC8HDAC6
SCHEMBL25426067 0.69 CPB2 (0.36) MTNR1AMTNR1BHDAC8HDAC6HDAC1
SCHEMBL25426712 0.67 ALDH1A1 (0.45) MCL1

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-4204808-A1 TARGET ENGAGEMENT ASSAY FOR RAS PROTEINS Promega Corporation (US) 2023-07-05 — — EP disclosed
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