SCHEMBL18950461

SCHEMBL18950461

CCCN(CCCCN(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.63
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
DRD2 P14416 3/20 0.43
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA7 P43166 1/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
ACHE P22303 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL14877951 0.96 CA14 (0.58) CA14TDP1MEN1KMT2AGAA
SCHEMBL14877954 0.96 CA14 (0.58) CA14TDP1MEN1KMT2AGAA
SCHEMBL25628397 0.94 CA14 (0.63) CA14TDP1MEN1KMT2AGAA
SCHEMBL14877953 0.93 CA14 (0.55) CA14TDP1MEN1KMT2AGAA
SCHEMBL8021860 0.92 CA14 (0.68) CA14TDP1MEN1KMT2AGAA
SCHEMBL13055410 0.92 CA14 (0.68) CA14TDP1MEN1KMT2AGAA
SCHEMBL8719347 0.92 CA14 (0.68) CA14TDP1MEN1KMT2AGAA
SCHEMBL8714161 0.92 CA14 (0.68) CA14TDP1MEN1KMT2AGAA
SCHEMBL14439576 0.92 CA14 (0.60) CA14TDP1MEN1KMT2AGAA
SCHEMBL13004665 0.91 CA14 (0.59) CA14TDP1MEN1KMT2AGAA

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-2643301-B1 TECHNETIUM-99M COMPLEX AS A TOOL FOR THE IN VIVO DIAGNOSIS OF CANCEROUS TUMOURS PF MEDICAMENT (FR) 2017-10-04 EP disclosed
US-9677077-B1 Cationic acrylamide copolymer transfection reagents MIRUS BIO LLC (US) 2017-06-13 US disclosed