SCHEMBL8570583

SCHEMBL8570583

CCOC(=O)[C@H]1CC[C@H](C(=O)Nc2ccc(-n3cncn3)cc2C(=O)NCc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MAPK1 P28482 3/20 0.44
MEN1 O00255 2/20 0.44
ALOX15 P16050 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
POLB P06746 3/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 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
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 3/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 4/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL8292749 0.90 KMT2A (0.48) KMT2AMAPK1MEN1ALOX15APOBEC3A
SCHEMBL8572705 0.88 KDM4E (0.48) KMT2AMAPK1MEN1ALOX15APOBEC3A
SCHEMBL8291728 0.83 HPGD (0.49) KMT2AMEN1POLBTSHRKDM4E
SCHEMBL8291729 0.83 LMNA (0.51) KMT2AMAPK1POLBTSHRKDM4E
SCHEMBL8292507 0.82 HPGD (0.48) KMT2AMAPK1POLBTSHRKDM4E
SCHEMBL8574890 0.81 KMT2A (0.47) KMT2AMAPK1MEN1POLBTSHR
SCHEMBL8566730 0.78 HPGD (0.47) KMT2AMAPK1POLBTSHRKDM4E
SCHEMBL8293108 0.77 KDM4E (0.47) KMT2AMAPK1MEN1ALOX15APOBEC3A
SCHEMBL8298215 0.77 MEN1 (0.56) KMT2AMAPK1MEN1ALOX15APOBEC3A
SCHEMBL8301263 0.76 POLB (0.50) KMT2AMAPK1POLBTSHRKDM4E

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-5716993-A PHOSPHODIESTERASE ENZYME INHIBITOR FOR TREATING CARDIOVASCULAR DISORDER, ANGINA PECTORIS, HYPERTENSION, ASTHMA EISAI CO., LTD. (JP) 1998-02-10 US disclosed