SCHEMBL23964783

SCHEMBL23964783

C=CN(C)Cc1nc2sc3c(c2c(=O)n1-c1ccsc1C)CCN(C)C3

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 16/20 0.50
▸ KMT2A Q03164 16/20 0.50
▸ GAA P10253 1/20 0.46
▸ KDM4E B2RXH2 6/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ MAPT P10636 5/20 0.45
▸ HPGD P15428 4/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ NR4A1 P22736 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GLA P06280 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL23964640 0.92 MEN1 (0.50) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL23964663 0.80 MEN1 (0.50) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL22213296 0.77 KMT2A (0.54) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL20769500 0.69 KMT2A (0.49) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL20769507 0.66 KMT2A (0.49) MEN1KMT2AGAAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL29901429 0.66 KMT2A (0.48) MEN1KMT2AGAAKDM4EALDH1A1
Bromide SCHEMBL29901483 0.66 KMT2A (0.48) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL14977955 0.64 KDM4E (0.63) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL20769501 0.60 KMT2A (0.49) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL29694300 0.60 KMT2A (0.49) MEN1KMT2AGAAKDM4EALDH1A1

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-3680243-B1 PENTACYCLIC COMPOUND EISAI R&D MAN CO LTD (JP) 2021-10-27 — — EP disclosed
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