SCHEMBL8856468

SCHEMBL8856468

COc1cccc(C(=O)NNC2(O)C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.65
NPC1 O15118 5/20 0.65
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
POLB P06746 3/20 0.55
MAPT P10636 1/20 0.55
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55
MCL1 Q07820 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KAT6A Q92794 2/20 0.54
KCNK3 O14649 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
GAA P10253 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 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
SCHEMBL8856559 0.94 RAB9A (0.60) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL8856488 0.85 SMN1; SMN2 (0.56) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL8856503 0.82 SMN1; SMN2 (0.62) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL8856927 0.81 KDM4E (0.55) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL8856705 0.81 MAPT (0.59) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL12871351 0.81 NPC1 (0.90) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL8856546 0.79 MAPT (0.74) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL8856573 0.79 KMT2A (0.50) RAB9AMEN1KMT2APOLBMAPT
SCHEMBL8856834 0.76 PARP1 (0.49) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL8856628 0.76 MAPT (0.47) RAB9ANPC1MEN1KMT2APOLB

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