SCHEMBL7167293

SCHEMBL7167293

CN(c1ccccc1)S(=O)(=O)CCCC1NCCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
PRCP P42785 3/20 0.47
SLC22A1 O15245 1/20 0.47
OPRM1 P35372 10/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
OPRK1 P41145 2/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL917364 0.79 ALDH1A1 (0.52) ALDH1A1KDM4EGAAPRCPSLC22A1
SCHEMBL9533144 0.76 PRCP (0.59) ALDH1A1KDM4EGAAPRCPSLC22A1
SCHEMBL918901 0.75 ALDH1A1 (0.51) ALDH1A1KDM4EGAAPRCPSLC22A1
SCHEMBL27985631 0.74 PRCP (0.60) ALDH1A1KDM4EGAAPRCPSLC22A1
SCHEMBL6429588 0.73 PRCP (0.59) ALDH1A1KDM4EGAAPRCPSLC22A1
Ammonia Solution, Strong SCHEMBL28831335 0.72 PRCP (0.57) ALDH1A1KDM4EGAAPRCPSLC22A1
SCHEMBL4340398 0.71 PRCP (0.58) ALDH1A1KDM4EGAAPRCPSLC22A1
SCHEMBL1009943 0.71 PRCP (0.64) ALDH1A1KDM4EGAAPRCPSLC22A1
SCHEMBL3245038 0.70 KDM6B (0.38) ALDH1A1KDM4EGAAOPRM1OPRK1
SCHEMBL330217 0.70 PRCP (0.62) ALDH1A1KDM4EGAAPRCPSLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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