SCHEMBL9308959

SCHEMBL9308959

CCCCCCCCCCCCCCOc1ccc(CN(Cc2ccccn2)S(C)(=O)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.48
KCNA5 P22460 1/20 0.47
PTPN1 P18031 2/20 0.47
APLNR P35414 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL9308154 0.81 HSD17B10 (0.52) HPGDHSD17B10ALDH1A1TSHRMAPK1
SCHEMBL9306473 0.80 HPGD (0.51) HPGDHSD17B10ALDH1A1TSHRKDM4E
SCHEMBL9306393 0.79 HPGD (0.54) HPGDHSD17B10TSHR
SCHEMBL6733380 0.78 HPGD (0.48) HPGDHSD17B10ALDH1A1TSHRCYP1A2
Iodide SCHEMBL9308953 0.77 PTPN1 (0.45) PTPN1
SCHEMBL9306089 0.74 CA12 (0.52) CXCR3KCNA5ALDH1A1PDE4APDE4B
SCHEMBL18422997 0.74 ALDH1A1 (0.56) CXCR3KCNA5APLNRALDH1A1TSHR
SCHEMBL13572228 0.74 PTGER2 (0.51) CXCR3KCNA5
SCHEMBL9308501 0.73 HPGD (0.47) HPGDHSD17B10ALDH1A1TSHRKDM4E
SCHEMBL14305740 0.73 CYP2D6 (0.58) HPGDHSD17B10ALDH1A1PDE4ACYP1A2

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
EP-0529654-A1 Benzopyran derivatives as potassium channel activators and 5-lipoxygenase inhibitors SYNTEX (U.S.A.) INC. (US) 1993-03-03 EP claimed
US-5328921-A Antagonist of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1994-07-12 US disclosed
US-5208247-A Antianaphylactic agents or septic shock AMERICAN CYANAMID COMPANY (US) 1993-05-04 US disclosed
EP-0530444-A1 Aryl, amide, imide, and carbamate pyridine antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1993-03-10 EP disclosed