SCHEMBL3249767

SCHEMBL3249767

O=C(O)C1Cc2ccccc2C(CCCS(=O)(=O)O)N1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.33
OPRM1 P35372 1/20 0.33
HIF1A Q16665 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
MME P08473 4/20 0.32
ACE P12821 4/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL5740073 0.86 PDE5A (0.37) CYP2D6MAPTGAAKDM4EALDH1A1
SCHEMBL9631444 0.77 MAPT (0.47) CYP2D6MAPTGAAKDM4ESMN1; SMN2
SCHEMBL10505998 0.77 MAPT (0.47) CYP2D6MAPTGAAKDM4ESMN1; SMN2
SCHEMBL5319112 0.76 SLC22A1 (0.50) CYP2D6MAPTGAAKDM4ESMN1; SMN2
SCHEMBL917364 0.74 ALDH1A1 (0.52) MAPTGAAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7995094 0.72 ALDH1A1 (0.36) MAPTGAAALDH1A1TSHRMEN1
SCHEMBL31650932 0.70 MAPT (0.53) CYP2D6MAPTGAAKDM4ESMN1; SMN2
SCHEMBL268492 0.70 MAPT (0.53) CYP2D6MAPTGAAKDM4ESMN1; SMN2
SCHEMBL28787105 0.70 MAPT (0.53) CYP2D6MAPTGAAKDM4ESMN1; SMN2
SCHEMBL29430156 0.70 MAPT (0.53) CYP2D6MAPTGAAKDM4ESMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227803-B1 COMPOUNDS FOR INHIBITING IAPP-ASSOCIATED AMYLOID DEPOSITS BELLUS HEALTH INTERNATIONAL LTD (CH) 2010-05-05 EP claimed
US-6562836-B1 Islet amyloid polypeptide (IAPP) is known to be capable of forming fibrils which are deposited in the pancreas of patients wtih type II diabetes QUEEN'S UNIVERSITY OF KINGSTON (CA) 2003-05-13 US claimed