SCHEMBL3815752

SCHEMBL3815752

O=C(O)c1ccc2sccc2c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.43
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
PTPN2 P17706 1/20 0.40
PTPRB P23467 1/20 0.40
PTPN6 P29350 1/20 0.40
POLB P06746 1/20 0.40
NR4A1 P22736 1/20 0.40
RECQL P46063 1/20 0.40
ESR2 Q92731 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
CSNK2A2 P19784 5/20 0.38
CSNK2B P67870 5/20 0.38
CSNK2A1 P68400 5/20 0.38
KDM4E B2RXH2 2/20 0.38
GPR35 Q9HC97 1/20 0.38
ASPH Q12797 1/20 0.38

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
SCHEMBL3816635 0.80 CA12 (0.41) MEN1MAPTKMT2APOLBKDM4E
SCHEMBL3936083 0.79 LDHA (0.47) MEN1MAPTKMT2APTPN2PTPRB
SCHEMBL3808419 0.78 TSHR (0.41) MEN1MAPTKMT2APTPN2PTPRB
SCHEMBL3811654 0.74 KEAP1 (0.45) MRGPRX4TDP1CSNK2A2CSNK2BCSNK2A1
SCHEMBL2083799 0.73 NR4A1 (0.48) MRGPRX4NR4A1CSNK2A2CSNK2BCSNK2A1
SCHEMBL20562338 0.72 ESR1 (0.35) MAPTESR2KDM4EALDH1A1GAA
SCHEMBL30548341 0.72 CYP1A2 (0.58) MAPTESR2KDM4EASPHKDM8
SCHEMBL1713540 0.72 CYP1A2 (0.58) MAPTESR2KDM4EASPHKDM8
SCHEMBL9925245 0.71
SCHEMBL3815597 0.70 CSNK2A1 (0.38) MEN1MAPTKMT2APTPN2PTPRB

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
EP-1186594-B1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO LTD (JP) 2009-08-05 EP disclosed
US-6797726-B1 N-alkoxyalkyl-N,N-dialkylamine derivatives or salts thereof, and remedies for nerve degeneration diseases containing the same TOYAMA CHEMICAL CO., LTD. (JP) 2004-09-28 US disclosed
EP-1186594-A1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2002-03-13 EP disclosed