SCHEMBL11698772

SCHEMBL11698772

CCCCC(C#N)C(=NC#N)N1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CTSK P43235 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LIPE Q05469 1/20 0.30

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
SCHEMBL11698765 1.00 L3MBTL1 (0.35) L3MBTL1MEN1KMT2ATDP1CTSK
SCHEMBL11699621 0.96 L3MBTL1 (0.37) L3MBTL1MEN1KMT2ATDP1
SCHEMBL11699616 0.96 L3MBTL1 (0.37) L3MBTL1MEN1KMT2ATDP1
SCHEMBL11702325 0.94 L3MBTL1 (0.36) L3MBTL1MEN1KMT2ATDP1
SCHEMBL11702316 0.94 L3MBTL1 (0.36) L3MBTL1MEN1KMT2ATDP1
SCHEMBL11701837 0.91 KDM4E (0.32) L3MBTL1MEN1KMT2ATDP1KDM4E
SCHEMBL11701841 0.91 KDM4E (0.32) L3MBTL1MEN1KMT2ATDP1KDM4E
SCHEMBL11698646 0.84 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL11698639 0.84 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL11700260 0.84 KDM4E (0.31) KDM4EALDH1A1

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
US-4032559-A PICKLING INHIBITORS, HYPOTENSIVE, SALTS OF MOTHPROOFING AGENTS THE UPJOHN COMPANY (US) 1977-06-28 US disclosed