SCHEMBL8301386

SCHEMBL8301386

CS(=O)(=O)Nc1ccc(Br)cc1C(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
PKM P14618 2/20 0.62
HSP90AA1 P07900 1/20 0.60
LMNA P02545 3/20 0.57
MAPK1 P28482 2/20 0.54
HTT P42858 2/20 0.54
GAA P10253 1/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 1/20 0.53
HPGD P15428 3/20 0.53
RXFP1 Q9HBX9 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MCHR1 Q99705 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MMP13 P45452 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL14267566 0.86 HSP90AA1 (0.56) MEN1KMT2APKMHSP90AA1LMNA
SCHEMBL8301472 0.85 MEN1 (0.59) MEN1KMT2APKMHSP90AA1LMNA
SCHEMBL8298678 0.80 HSP90AA1 (0.68) MEN1KMT2APKMHSP90AA1LMNA
SCHEMBL8301379 0.79 HSD17B10 (0.69) MEN1KMT2AHSP90AA1LMNAMAPK1
SCHEMBL8292747 0.77 HSP90AA1 (0.55) MEN1KMT2APKMHSP90AA1LMNA
SCHEMBL13754023 0.76 ALDH1A1 (0.59) SMN1; SMN2KDM4EHPGDCYP1A2ALDH1A1
SCHEMBL8291729 0.75 LMNA (0.51) KMT2APKMHSP90AA1LMNAMAPK1
SCHEMBL8292069 0.75 HSP90AA1 (0.52) MEN1KMT2APKMHSP90AA1LMNA
SCHEMBL8436830 0.75 GAA (0.54) KMT2AHSP90AA1LMNAGAAKDM4E
SCHEMBL8301382 0.74 MCHR1 (0.63) MEN1KMT2APKMLMNAMAPK1

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