SCHEMBL9004783

SCHEMBL9004783

O=C(NN=c1c(=O)c2ccccc2c1=O)Nc1ccc(F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 2/20 0.55
NPC1 O15118 2/20 0.55
MAPT P10636 2/20 0.53
CASP3 P42574 2/20 0.50
SENP8 Q96LD8 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
SENP6 Q9GZR1 2/20 0.50
GAA P10253 2/20 0.50
PKM P14618 2/20 0.50
KMT2A Q03164 2/20 0.50
APAF1 O14727 1/20 0.50
TDP2 O95551 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
THRB P10828 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL9004668 0.86 RAB9A (0.57) RAB9ASMN1; SMN2HTTNPC1MAPT
SCHEMBL9004670 0.81 MAPT (0.55) RAB9ASMN1; SMN2HTTNPC1MAPT
SCHEMBL9004624 0.80 RAB9A (0.50) RAB9ASMN1; SMN2NPC1MAPTCASP3
SCHEMBL8664300 0.79 SMN1; SMN2 (0.50) RAB9ASMN1; SMN2HTTNPC1MAPT
SCHEMBL9004777 0.78 KMT2A (0.51) RAB9ASMN1; SMN2HTTNPC1MAPT
SCHEMBL9232385 0.78 SENP6 (0.51) RAB9ASMN1; SMN2NPC1MAPTCASP3
SCHEMBL9004699 0.76 HTT (0.48) RAB9ASMN1; SMN2HTTNPC1MAPT
SCHEMBL9004741 0.76 MAPT (0.53) RAB9ASMN1; SMN2HTTNPC1MAPT
SCHEMBL9004650 0.75 MAPT (0.51) RAB9ASMN1; SMN2HTTNPC1MAPT
SCHEMBL9004654 0.75 KMT2A (0.51) RAB9ASMN1; SMN2HTTNPC1MAPT

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-5571843-A Derivatives of indan-1,3-dione and indan-1,2,3-trione, methods of preparing them and therapeutic use thereof INNOTHERA (FR) 1996-11-05 US disclosed
EP-0566445-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-0566445-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-1993020045-A1 INDAN-1,3-DIONE AND INDAN-1,2,3-TRIONE DERIVATIVES, PROCESSES FOR THE PREPARATION OF SAME AND THEIR APPLICATION AS THERAPEUTIC AGENTS INNOTHERA (FR) 1993-10-14 WO disclosed