SCHEMBL8566730

SCHEMBL8566730

CCOC(=O)[C@H]1CC[C@H](C(=O)Nc2cc(N)c(Br)cc2C(=O)NCc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.45
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
HSP90AA1 P07900 1/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
APEX1 P27695 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
HSD17B10 Q99714 1/20 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
SCHEMBL8298680 0.88 HSP90AA1 (0.48) HPGDPOLBKMT2APKMTSHR
SCHEMBL8291729 0.88 LMNA (0.51) HPGDPOLBKMT2APKMTSHR
SCHEMBL8291728 0.84 HPGD (0.49) HPGDPOLBKMT2APKMTSHR
SCHEMBL8299687 0.83 LMNA (0.44) HPGDPOLBKMT2APKMTSHR
SCHEMBL8299688 0.83 LMNA (0.44) HPGDPOLBKMT2APKMTSHR
SCHEMBL8292507 0.83 HPGD (0.48) HPGDPOLBKMT2APKMTSHR
SCHEMBL8574890 0.81 KMT2A (0.47) HPGDPOLBKMT2APKMTSHR
SCHEMBL8301638 0.79 PKM (0.56) HPGDPOLBKMT2APKMTSHR
SCHEMBL8572705 0.78 KDM4E (0.48) HPGDPOLBKMT2ATSHRKDM4E
SCHEMBL8570583 0.78 KMT2A (0.44) HPGDPOLBKMT2APKMTSHR

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
US-5716993-A PHOSPHODIESTERASE ENZYME INHIBITOR FOR TREATING CARDIOVASCULAR DISORDER, ANGINA PECTORIS, HYPERTENSION, ASTHMA EISAI CO., LTD. (JP) 1998-02-10 US disclosed
EP-0686625-A1 ANTHRANILIC ACID DERIVATIVE Eisai Co., Ltd. (JP) 1995-12-13 EP disclosed