SCHEMBL8710230

SCHEMBL8710230

CCN(c1c[nH]c2ccccc12)[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MITF O75030 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 3/20 0.43
APAF1 O14727 1/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MPO P05164 1/20 0.43
TSHR P16473 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43

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
SCHEMBL8710225 1.00 MEN1 (0.46) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL26978217 0.73 ALDH1A1 (0.51) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL4861487 0.72 LMNA (0.47) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6394938 0.72 ALDH1A1 (0.56) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL538983 0.70 KDM4E (0.61) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL7201041 0.70 KDM4E (0.61) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL10980705 0.70 ALDH1A1 (0.53) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL30735894 0.69 KDM4E (0.64) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL27474102 0.69 LMNA (0.58) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL27777642 0.69 GPR84 (0.56) MEN1KMT2AALDH1A1MAPTSTAT3

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-5753619-A CYCLIC HEPTAPEPTIDES FOR CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INSUSTRIES, LTD. (JP) 1998-05-19 US disclosed