SCHEMBL9306261

SCHEMBL9306261

CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccnc2)C(C)=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
LMNA P02545 3/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
NPC1 O15118 1/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KMT2A Q03164 2/20 0.53
TSHR P16473 3/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TP53 P04637 1/20 0.50
ALDH1A1 P00352 2/20 0.49
PLA2G4B P0C869 1/20 0.49
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.48

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
SCHEMBL9305774 0.86 NFKB1 (0.57) MAPTLMNANFKB1NFKB2RELA
SCHEMBL9306075 0.83 LMNA (0.56) MAPTLMNANFKB1NFKB2RELA
SCHEMBL9306436 0.83 THRA (0.51)
SCHEMBL9306979 0.81 HPGD (0.56) TSHRTP53PLA2G4BHPGD
Iodide SCHEMBL9307975 0.80 TP53 (0.49) TSHRTP53
Bromide SCHEMBL9166803 0.76 LTA4H (0.51) MAPTLMNANFKB1NFKB2RELA
Bromide SCHEMBL9169046 0.76 LTA4H (0.51) MAPTLMNANFKB1NFKB2RELA
Bromide SCHEMBL9305836 0.74
Iodide SCHEMBL9308068 0.74
SCHEMBL6738312 0.73 GRM2 (0.71) MAPTLMNANFKB1NFKB2RELA

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
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