SCHEMBL9165352

SCHEMBL9165352

O=[N+]([O-])c1ccc(CCCCCCCCCCCCCCOCCCCCCCCCCCCCCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
EPHX1 P07099 1/20 0.54
KCNH2 Q12809 7/20 0.54
KCNJ1 P48048 2/20 0.51
IDO1 P14902 2/20 0.49
LOXL2 Q9Y4K0 1/20 0.48
CHRM2 P08172 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL8727026 1.00 TSHR (0.55) TSHREPHX1KCNH2KCNJ1IDO1
SCHEMBL11308396 1.00 TSHR (0.55) TSHREPHX1KCNH2KCNJ1IDO1
SCHEMBL378396 0.93 TSHR (0.58) TSHREPHX1KCNH2KCNJ1IDO1
SCHEMBL19929796 0.92 KCNH2 (0.66) TSHREPHX1KCNH2KCNJ1CHRM2
SCHEMBL1310286 0.92 KCNH2 (0.51) TSHREPHX1KCNH2KCNJ1IDO1
SCHEMBL6696078 0.88 KCNH2 (0.54) TSHREPHX1KCNH2KCNJ1IDO1
SCHEMBL18913824 0.87 TSHR (0.69) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL1164057 0.86 TDP1 (0.59) TSHREPHX1KCNH2IDO1SIGMAR1
SCHEMBL1312040 0.85 TSHR (0.47) TSHREPHX1KCNH2KCNJ1IDO1
SCHEMBL3656180 0.85 TSHR (0.62) TSHRKCNH2KCNJ1IDO1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5432189-A Bis-aryl amide and urea antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1995-07-11 US disclosed
US-5350759-A Bis-aryl urea compounds WISSNER ALLAN (US) 1994-09-27 US disclosed
US-5231182-A Platelet activating factor inhibitor AMERICAN CYANAMID COMPANY (US) 1993-07-27 US disclosed
US-5225425-A Respiratory system disorders AMERICAN CYANAMID COMPANY (US) 1993-07-06 US disclosed
US-5128351-A BIS-ARYL AMIDE AND UREA ANTAGONISTS OF PLATELET ACTIVATING FACTOR AMERICAN CYANAMID COMPANY (US) 1992-07-07 US disclosed
US-5077409-A Reducing hydroxy bis-aryl amide, acylating, hydrolyzing, sulfonating, halogenating, alkylating with nitrogen heterocycle AMERICAN CYANAMID COMPANY (US) 1991-12-31 US disclosed
EP-0458037-A1 Bis-aryl amide and urea antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1991-11-27 EP disclosed