SCHEMBL8856573

SCHEMBL8856573

COc1cc(C(=O)NNC2(O)C(=O)c3ccccc3C2=O)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
RAB9A P51151 1/20 0.50
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.49
APAF1 O14727 1/20 0.49
TDP2 O95551 1/20 0.49
NSD2 O96028 1/20 0.49
GALK1 P51570 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
HTT P42858 1/20 0.49
AURKB Q96GD4 1/20 0.48
GAA P10253 3/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL8856705 0.90 MAPT (0.59) KMT2AMEN1RAB9AMAPTKDM4E
SCHEMBL8856488 0.80 SMN1; SMN2 (0.56) KMT2AMEN1RAB9AMAPTKDM4E
SCHEMBL8856468 0.79 RAB9A (0.65) KMT2AMEN1RAB9AMAPTGAA
SCHEMBL8856508 0.79 RAB9A (0.60) KMT2ARAB9AMAPTKDM4EGAA
SCHEMBL8856566 0.78 CYP1A2 (0.50) KMT2AMEN1SLC22A6SLC22A8RAB9A
SCHEMBL8856927 0.76 KDM4E (0.55) KMT2AMEN1RAB9AMAPTKDM4E
SCHEMBL8856693 0.75 MAPT (0.57) KMT2AMEN1SLC22A6SLC22A8RAB9A
SCHEMBL8856520 0.75 KMT2A (0.57) KMT2AMEN1RAB9AMAPTKDM4E
SCHEMBL8856628 0.74 MAPT (0.47) KMT2AMEN1RAB9AMAPTKDM4E
SCHEMBL8856503 0.74 SMN1; SMN2 (0.62) KMT2AMEN1RAB9AMAPTKDM4E

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
US-5648381-A Derivatives of indan-1,3-dione and indan-1,2,3-trione, methods of preparing them and therapeutic use thereof INNOTHERA (FR) 1997-07-15 US disclosed
EP-0566446-B1 Derivatives of indane-1,3-dione and indane-1,2,3-trione, processes for their preparation and their application in therapy INNOTHERA LAB SA (FR) 1996-02-07 EP disclosed
EP-0566446-A1 Derivatives of indane-1,3-dione and indane-1,2,3-trione, processes for their preparation and their application in therapy INNOTHERA (FR) 1993-10-20 EP disclosed
WO-1993020046-A1 INDAN-1,3-DIONE AND INDAN-1,2,3-TRIONE DERIVATIVES, PROCESSES FOR PREPARATION OF SAME AND THEIR USE AS THERAPEUTIC AGENTS INNOTHERA (FR) 1993-10-14 WO disclosed