SCHEMBL8300446

SCHEMBL8300446

Nc1ccc(-n2cccn2)cc1C(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPK1 P28482 3/20 0.54
APOBEC3G Q9HC16 2/20 0.54
ALOX15 P16050 1/20 0.54
APOBEC3A P31941 1/20 0.54
POLB P06746 1/20 0.53
HPGD P15428 6/20 0.51
HSD17B10 Q99714 2/20 0.51
TNKS O95271 1/20 0.50
PARP1 P09874 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 1/20 0.50
MMP13 P45452 1/20 0.50
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL8292897 0.87 HPGD (0.58) MEN1KMT2AMAPK1APOBEC3GALOX15
SCHEMBL8298215 0.85 MEN1 (0.56) MEN1KMT2AMAPK1APOBEC3GALOX15
SCHEMBL8293108 0.80 KDM4E (0.47) MEN1KMT2AMAPK1APOBEC3GALOX15
SCHEMBL5337652 0.78 ALDH1A1 (0.71) MEN1KMT2AMAPK1HPGDHSD17B10
SCHEMBL6941709 0.77 HPGD (0.64) MEN1KMT2AMAPK1POLBHPGD
SCHEMBL8298678 0.77 HSP90AA1 (0.68) MEN1KMT2AMAPK1POLBHPGD
SCHEMBL8572705 0.77 KDM4E (0.48) MEN1KMT2AMAPK1APOBEC3GALOX15
Hydrochloric Acid SCHEMBL8300980 0.76 HPGD (0.63) MEN1KMT2AMAPK1POLBHPGD
SCHEMBL8296848 0.74 MEN1 (0.54) MEN1KMT2AMAPK1POLBHPGD
SCHEMBL8297231 0.74 PKM (0.56) MEN1KMT2AMAPK1POLBHPGD

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 4 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
CN-1118595-A Anthranilic acid derivative EISAI CO LTD (JP) 1996-03-13 CN disclosed
EP-0686625-A1 ANTHRANILIC ACID DERIVATIVE Eisai Co., Ltd. (JP) 1995-12-13 EP disclosed