SCHEMBL9004635

SCHEMBL9004635

NNC(=O)Nc1ccc(F)cc1F

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.63
NPC1 O15118 6/20 0.63
HTT P42858 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
PKM P14618 2/20 0.58
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
GAA P10253 2/20 0.56
POLB P06746 1/20 0.56
TP53 P04637 1/20 0.56
RECQL P46063 1/20 0.55
ALDH1A1 P00352 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL27193044 0.88 RAB9A (0.77) RAB9ANPC1HTTSMN1; SMN2PKM
SCHEMBL9037821 0.83 RAB9A (0.53) RAB9ANPC1HTTSMN1; SMN2PKM
SCHEMBL23539829 0.82 HTT (0.52) RAB9ANPC1HTTSMN1; SMN2PKM
SCHEMBL17161297 0.82 LMNA (0.65) RAB9ANPC1HTTSMN1; SMN2CA12
SCHEMBL11426554 0.81 RAB9A (0.63) RAB9ANPC1HTTSMN1; SMN2PKM
SCHEMBL2367225 0.81 KIF11 (0.65) RAB9ANPC1HTTSMN1; SMN2PKM
SCHEMBL30343207 0.81 KIF11 (0.65) RAB9ANPC1HTTSMN1; SMN2PKM
SCHEMBL1894047 0.80 RAB9A (0.66) RAB9ANPC1HTTSMN1; SMN2PKM
SCHEMBL30664572 0.80 RAB9A (0.66) RAB9ANPC1HTTSMN1; SMN2PKM
SCHEMBL11320624 0.80 RAB9A (0.56) RAB9ANPC1HTTSMN1; SMN2PKM

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 3 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-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