SCHEMBL22149715

SCHEMBL22149715

CCC(C)C(=O)NCCCCNC(=O)c1ccc(CN=[N+]=[N-])nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ KDM4C Q9H3R0 1/20 0.37
▸ APOBEC3A P31941 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ MLYCD O95822 1/20 0.35
▸ SCN1A P35498 1/20 0.35
▸ SCN2A Q99250 1/20 0.35
▸ SCN3A Q9NY46 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NAAA Q02083 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL23810141 0.91 KDM4E (0.40) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL23810201 0.85 KDM4E (0.45) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL23810200 0.83 KDM4E (0.37) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL15285087 0.81 MAPK1 (0.53) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL15285036 0.81 MAOB (0.44) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL16560328 0.80 KDM4E (0.41) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL23810206 0.80 KDM4E (0.41) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL19308748 0.78 KMT2A (0.39) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL27934649 0.77 KDM4E (0.38) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL20804067 0.75 KDM4E (0.38) KDM4EHDAC3HDAC1HDAC2HDAC8

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
WO-2020126598-A1 HETEROCYCLIC AZIDE UNITS AND THEIR USE IN POLYMER COATINGS ILLUMINA CAMBRIDGE LIMITED (GB) 2020-06-25 — — WO disclosed
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