SCHEMBL8293108

SCHEMBL8293108

O=C(NCc1ccc2c(c1)OCO2)c1cc(-n2cccn2)ccc1NC(=O)[C@H]1CC[C@H](C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 2/20 0.46
APOBEC3G Q9HC16 2/20 0.46
ALOX15 P16050 1/20 0.46
APOBEC3A P31941 1/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 6/20 0.44
TSHR P16473 4/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HPGD P15428 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8572705 0.90 KDM4E (0.48) KDM4EMEN1KMT2AMAPK1APOBEC3G
SCHEMBL8292749 0.87 KMT2A (0.48) KDM4EMEN1KMT2AMAPK1APOBEC3G
SCHEMBL8292747 0.81 HSP90AA1 (0.55) MEN1KMT2AMAPK1ALDH1A1TSHR
SCHEMBL8297238 0.81 POLB (0.53) KDM4EMEN1KMT2AMAPK1POLB
SCHEMBL8300446 0.80 MEN1 (0.54) MEN1KMT2AMAPK1APOBEC3GALOX15
SCHEMBL8301192 0.79 KMT2A (0.48) KDM4EMEN1KMT2AMAPK1POLB
SCHEMBL8292897 0.77 HPGD (0.58) MEN1KMT2AMAPK1APOBEC3GALOX15
SCHEMBL8570583 0.77 KMT2A (0.44) KDM4EMEN1KMT2AMAPK1APOBEC3G
SCHEMBL8297964 0.77 SMN1; SMN2 (0.49) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL8298680 0.76 HSP90AA1 (0.48) MEN1KMT2AMAPK1POLBALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686625-B1 ANTHRANILIC ACID DERIVATIVE EISAI CO LTD (JP) 1999-05-26 EP disclosed
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