SCHEMBL9733100

SCHEMBL9733100

COC(=O)C(C)(C)CC(CC=Cc1cccnc1)CCCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
LMNA P02545 2/20 0.36
CYP2D6 P10635 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
MEN1 O00255 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A1 P04798 6/20 0.33
CYP1A2 P05177 6/20 0.33
CYP1B1 Q16678 6/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9733096 1.00 TBXAS1 (0.41) TBXAS1CHRNB2CHRNA4LMNACYP2D6
SCHEMBL9843049 0.84 TBXAS1 (0.47) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9843054 0.84 TBXAS1 (0.47) TBXAS1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9732837 0.81 TBXAS1 (0.49) TBXAS1CHRNA7
SCHEMBL9732229 0.77
SCHEMBL9733183 0.73
SCHEMBL8527898 0.70 TBXAS1 (0.39) TBXAS1CHRNB2CHRNA4LMNACYP2D6
SCHEMBL8527896 0.70 CHRNB2 (0.42) TBXAS1CHRNB2CHRNA4LMNACYP2D6
SCHEMBL9734003 0.68 TBXAS1 (0.48) TBXAS1CHRNB2CHRNA4LMNACYP2D6
SCHEMBL9733996 0.68 TBXAS1 (0.48) TBXAS1CHRNB2CHRNA4LMNACYP2D6

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