SCHEMBL29940221

SCHEMBL29940221

CCCNc1ccc(NCCC)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.63
MEN1 O00255 3/20 0.63
BLM P54132 3/20 0.63
KMT2A Q03164 3/20 0.63
NSD2 O96028 2/20 0.63
RXFP1 Q9HBX9 1/20 0.63
TOP2B Q02880 1/20 0.61
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
MTOR P42345 1/20 0.58
SIRT2 Q8IXJ6 1/20 0.58
ECE1 P42892 1/20 0.49
MUS81 Q96NY9 1/20 0.49
TERT O14746 3/20 0.48
MAPT P10636 5/20 0.47
MAPK1 P28482 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
RECQL P46063 2/20 0.47

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
SCHEMBL11131632 1.00 POLB (0.63) POLBMEN1BLMKMT2ANSD2
SCHEMBL14582002 0.93 POLB (0.56) POLBMEN1BLMKMT2ANSD2
SCHEMBL10622097 0.91 MEN1 (0.54) POLBMEN1BLMKMT2ANSD2
SCHEMBL28287515 0.91 ADORA2A (0.58) POLBMEN1BLMKMT2ANSD2
SCHEMBL29566786 0.91 MEN1 (0.58) POLBMEN1BLMKMT2ANSD2
SCHEMBL29368479 0.89 MEN1 (0.59) POLBMEN1BLMKMT2ANSD2
SCHEMBL29364149 0.89 MEN1 (0.59) POLBMEN1BLMKMT2ANSD2
SCHEMBL156500 0.89 MEN1 (0.59) POLBMEN1BLMKMT2ANSD2
Methylamine SCHEMBL10780560 0.89 ADORA2A (0.56) POLBMEN1BLMKMT2ANSD2
SCHEMBL30097103 0.88 MEN1 (0.58) POLBMEN1BLMKMT2ANSD2

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
CN-110536704-B Tissue targeting complexes 帕瑞姆普公司 2022-09-27 CN disclosed