SCHEMBL9733773

SCHEMBL9733773

COC(=O)C(C/C=C/c1cccnc1)CCCC#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.48
CHRNA4 P43681 2/20 0.48
TBXAS1 P24557 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP1A1 P04798 4/20 0.41
CYP1A2 P05177 4/20 0.41
CYP1B1 Q16678 4/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL9733778 1.00 CHRNB2 (0.48) CHRNB2CHRNA4TBXAS1LMNAKMT2A
SCHEMBL9732570 0.81 TBXAS1 (0.48) CHRNB2CHRNA4TBXAS1LMNAKMT2A
SCHEMBL9732574 0.81 TBXAS1 (0.48) CHRNB2CHRNA4TBXAS1LMNAKMT2A
SCHEMBL9709484 0.79 TBXAS1 (0.47) CHRNB2CHRNA4TBXAS1LMNAKMT2A
SCHEMBL9709487 0.79 TBXAS1 (0.47) CHRNB2CHRNA4TBXAS1LMNAKMT2A
SCHEMBL9732636 0.76 TBXAS1 (0.56) CHRNB2CHRNA4TBXAS1KMT2ACHRNB4
SCHEMBL9732639 0.76 TBXAS1 (0.56) CHRNB2CHRNA4TBXAS1KMT2ACHRNB4
SCHEMBL28450581 0.73 LMNA (0.53) CHRNB2CHRNA4TBXAS1LMNAKMT2A
SCHEMBL9732762 0.71 TBXAS1 (0.61) CHRNB2CHRNA4TBXAS1KMT2ACHRNB4
SCHEMBL9732765 0.71 TBXAS1 (0.61) CHRNB2CHRNA4TBXAS1KMT2ACHRNB4

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-5153214-A Treating cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1992-10-06 US 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