SCHEMBL7477968

SCHEMBL7477968

COc1ccc(Cl)c2c1C(=O)OC2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
MAPT P10636 5/20 0.52
RAB9A P51151 3/20 0.52
MAPK1 P28482 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
S1PR4 O95977 1/20 0.52
HSP90AA1 P07900 1/20 0.52
G6PD P11413 1/20 0.52
S1PR1 P21453 1/20 0.52
OPRK1 P41145 1/20 0.52
HTT P42858 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
MCL1 Q07820 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
TLR9 Q9NR96 1/20 0.52
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL8996379 0.88 KDM4E (0.56) KDM4EMAPTRAB9AMAPK1NPSR1
SCHEMBL29555800 0.81 TSHR (0.52) ALDH1A1TDP1GRIA1CACNG8CYP1A2
SCHEMBL542 0.81 TSHR (0.52) ALDH1A1TDP1GRIA1CACNG8CYP1A2
SCHEMBL9506291 0.78 POLL (0.49) KDM4EMAPTRAB9AMAPK1NPSR1
SCHEMBL13475464 0.77 KDM4E (0.46) KDM4EMAPTRAB9AMAPK1NPSR1
SCHEMBL1829004 0.77 KDM4E (0.50) KDM4EMAPTRAB9AMAPK1NPSR1
SCHEMBL9846469 0.74 MAPT (0.79) KDM4EMAPTRAB9AMAPK1NPSR1
SCHEMBL9621313 0.72 ALDH1A1 (0.51) KDM4EMAPTMAPK1ALDH1A1MEN1
SCHEMBL30610021 0.71 TOP1 (0.56) KDM4EMAPTRAB9AMAPK1NPSR1
SCHEMBL382674 0.71 TOP1 (0.56) KDM4EMAPTRAB9AMAPK1NPSR1

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-0950056-B1 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP disclosed
US-6004977-A ANTIDEPRESSANTS, COGNITION ACTIVATORS, AND ALZHEIMER'S DISEASE TREATMENT HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
EP-0950056-A2 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS HOECHST MARION ROUSSEL, INC. (US) 1999-10-20 EP disclosed
WO-1998029407-A2 N-(PYRIDINYLAMINO)ISOINDOLINES FOR TREATING ALZHEIMER'S AND DEPRESSION HOECHST MARION ROUSSEL, INC. (US) 1998-07-09 WO disclosed