SCHEMBL9709484

SCHEMBL9709484

CCOC(=O)CCC(C/C=C/c1cccnc1)CCCC#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.47
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
JUN P05412 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
HDAC3 O15379 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
GAA P10253 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36

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
SCHEMBL9709487 1.00 TBXAS1 (0.47) TBXAS1CHRNB2CHRNA4ALDH1A1HPGD
SCHEMBL9732636 0.86 TBXAS1 (0.56) TBXAS1CHRNB2CHRNA4ALDH1A1HPGD
SCHEMBL9732639 0.86 TBXAS1 (0.56) TBXAS1CHRNB2CHRNA4ALDH1A1HPGD
SCHEMBL9733773 0.79 CHRNB2 (0.48) TBXAS1CHRNB2CHRNA4ALDH1A1HPGD
SCHEMBL9733778 0.79 CHRNB2 (0.48) TBXAS1CHRNB2CHRNA4ALDH1A1HPGD
SCHEMBL9734003 0.77 TBXAS1 (0.48) TBXAS1CHRNB2CHRNA4MAPK1KDM4E
SCHEMBL9733996 0.77 TBXAS1 (0.48) TBXAS1CHRNB2CHRNA4MAPK1KDM4E
SCHEMBL9869505 0.77 TBXAS1 (0.44) TBXAS1CHRNB2CHRNA4HPGDSMN1; SMN2
SCHEMBL9732792 0.76 TBXAS1 (0.47) TBXAS1CHRNB2CHRNA4MAPK1KDM4E
SCHEMBL9733052 0.76 TBXAS1 (0.47) TBXAS1CHRNB2CHRNA4MAPK1KDM4E

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
US-5153214-A Treating cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0493324-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed
US-5025025-A Cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1991-06-18 US disclosed
EP-0405391-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1991-01-02 EP disclosed